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Using ethyl 2-formyl-4-(6-methylpyridin-3-yl)butanoate, 1-(2-(((4-((dimethylamino)methyl)pyridin-2-yl)methyl)thio)ethyl)guanidine to produce 2-((2-(((4-((dimethylamino)methyl)pyridin-2-yl)methyl)thio)ethyl)amino)-5-((6-methylpyridin-3-yl)methyl)pyrimidin-4(3H)-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["O=S(=O)(O)O", "[Na+]", "CC[O-]"]} |
Using tert-butyl 3-(2-hydroxy-5-methoxyphenyl)acrylate to produce tert-butyl 3-(2-hydroxy-5-methoxyphenyl)propanoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["[Pd]"]} |
Using 4,5-dichloronicotinaldehyde, hydroxylamine to produce 4,5-dichloronicotinaldehyde oxime, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CCO"], "agent": ["Cl"]} |
Using 4-phenoxybenzaldehyde, cyclopropylmethanamine to produce 1-cyclopropyl-N-(4-phenoxybenzyl)methanamine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["[BH3-]C#N", "[Na+]"]} |
Using ethyl 1-(5-(2-(3-ethylureido)-7-(pyrimidine-2-carboxamido)benzo[d]thiazol-5-yl)pyrimidin-2-yl)-4-methylpiperidine-4-carboxylate to produce 1-(5-(2-(3-ethylureido)-7-(pyrimidine-2-carboxamido)benzo[d]thiazol-5-yl)pyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CS(C)=O"], "agent": ["CC(C)(C)[O-]", "[K+]"]} |
Using 1-chloroisoquinoline-5-carbaldehyde to produce (1-chloroisoquinolin-5-yl)methanol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["[Na+]", "[BH4-]"]} |
Using diethylamine, (E)-3-(4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl)acrylaldehyde to produce (E)-7-(3-(diethylamino)prop-1-en-1-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)O", "ClCCCl"], "agent": ["[Na+]", "CC(=O)O[BH-](OC(C)=O)OC(C)=O"]} |
Using methyl 3-(1-(2-chlorobenzyl)-2-methyl-1H-benzo[d]imidazol-6-yl)acrylate to produce 3-(1-(2-chlorobenzyl)-2-methyl-1H-benzo[d]imidazol-6-yl)acrylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using 4-amino-3-nitrophenol, 1-fluoro-4-nitrobenzene to produce 2-nitro-4-(4-nitrophenoxy)aniline, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using 1-((1r,4r)-4-(((tert-butyldimethylsilyl)oxy)carbamoyl)cyclohexyl)-N-(2-(3,5-dichloropyridin-4-yl)-2-oxoethyl)-N-(3,5-difluorobenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide to produce N-(2-(3,5-dichloropyridin-4-yl)-2-oxoethyl)-N-(3,5-difluorobenzyl)-1-((1r,4r)-4-(hydroxycarbamoyl)cyclohexyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[F-]", "CCCC[N+](CCCC)(CCCC)CCCC"]} |
Using methyl 2-(3-aminophenoxy)acetate to produce methyl 2-(3-(diallylamino)phenoxy)acetate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C=CCBr"], "agent": ["O=C([O-])[O-]", "[Na+]"]} |
Using 4-bromobutanenitrile, (5-methyl-1H-imidazol-4-yl)methanethiol to produce 4-(((5-methyl-1H-imidazol-4-yl)methyl)thio)butanenitrile, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[Na]"]} |
Using ethyl 4-ethyl-1-(5-(2-(3-ethylureido)-7-propionylbenzo[d]thiazol-5-yl)pyrimidin-2-yl)piperidine-4-carboxylate to produce 4-ethyl-1-(5-(2-(3-ethylureido)-7-propionylbenzo[d]thiazol-5-yl)pyrimidin-2-yl)piperidine-4-carboxylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[Na+]", "[OH-]"]} |
Using ethyl 3-(1-methyl-1H-tetrazol-5-yl)-5-nitrobenzoate to produce ethyl 3-amino-5-(1-methyl-1H-tetrazol-5-yl)benzoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "CCO"], "agent": ["[Pd]"]} |
Using 3-iodo-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, tert-butyl 3-formyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate to produce 5-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-3-carbaldehyde, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO", "COCCOC"], "agent": ["O=C([O-])[O-]", "[Na+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using ethyl 4-((2-((tert-butyldimethylsilyl)oxy)ethyl)(methyl)amino)benzoate to produce ethyl 4-((2-hydroxyethyl)(methyl)amino)benzoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[F-]", "CCCC[N+](CCCC)(CCCC)CCCC"]} |
Using hydrogen azide, (2-(trifluoromethyl)phenyl)methanol to produce 1-(azidomethyl)-2-(trifluoromethyl)benzene, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["Cc1ccccc1"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "CCOC(=O)N=NC(=O)OCC"]} |
Using ((2R,3S,5R)-3-fluoro-5-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl acetate, ethynyltrimethylsilane to produce ((2R,3S,5R)-5-(2,4-dioxo-5-((trimethylsilyl)ethynyl)-3,4-dihydropyrimidin-1(2H)-yl)-3-fluorotetrahydrofuran-2-yl)methyl acetate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCN(CC)CC"], "agent": ["[Cu]I"]} |
Using N-benzyl-2-((tert-butyldimethylsilyl)oxy)ethan-1-amine, 2-chloronicotinic acid to produce N-benzyl-N-(2-((tert-butyldimethylsilyl)oxy)ethyl)-2-chloronicotinamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "O"], "agent": ["CCN=C=NCCCN(C)C", "On1nnc2ccccc21", "Cl"]} |
Using 4-(1-amino-5-((3-hydroxybenzyl)oxy)-1-(1-methyl-1H-imidazol-5-yl)pentyl)-2-fluorobenzonitrile to produce 10-amino-10-(1-methyl-1H-imidazol-5-yl)-2,5-dioxa-1,3(1,3)-dibenzenacyclodecaphane-1(6)-carbonitrile, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using 2-((4-benzyl-3-methylbenzyl)oxy)tetrahydro-2H-pyran to produce (4-benzyl-3-methylphenyl)methanol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["Cl"]} |
Using 1,3-dibromobenzene, 1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazol-9-yl)ethan-1-one to produce 1-(3-(3-bromophenyl)-9H-carbazol-9-yl)ethan-1-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "Cc1ccccc1"], "agent": ["O=C([O-])[O-]", "[K+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using methyl 5-(3-(6-chloro-3-(3-chlorobenzyl)-2-oxoindolin-3-yl)piperidine-1-carboxamido)picolinate to produce 5-(3-(6-chloro-3-(3-chlorobenzyl)-2-oxoindolin-3-yl)piperidine-1-carboxamido)picolinic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["[Li+]", "[OH-]"]} |
Using 1-isopropyl-7-methyl-4-phenyl-5,6,7,8-tetrahydroquinazolin-2(1H)-one to produce 1-isopropyl-7-methyl-4-phenylquinazolin-2(1H)-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["Cc1ccccc1C"], "agent": ["[S]"]} |
Using methyl 2-(1,8-diethyl-4-oxo-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate, methanesulfonohydrazide to produce methyl 2-(1,8-diethyl-4-(2-(methylsulfonyl)hydrazineylidene)-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CO"], "agent": ["Cl"]} |
Using 2,2,2-trifluoroethyl 4-methylbenzenesulfonate, methyl 3-hydroxy-1-methyl-1H-pyrazole-5-carboxylate to produce methyl 1-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using diethyl 2-(difluoromethyl)-4-propyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate to produce 4-propyl-2-(trifluoromethyl)pyridine-3,5-dicarboxylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["[K+]", "[OH-]"]} |
Using diethylamine, tetraethyl methylenebis(phosphonate) to produce tetraethyl ethene-1,1-diylbis(phosphonate), please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["C=O"]} |
Using (S)-5-methyl-2-(1-((5-(3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl)-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)ethyl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one to produce (S)-5-methyl-2-(1-((5-(3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)ethyl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O=C(O)C(F)(F)F"], "agent": ["N"]} |
Using 3-bromo-2-(bromomethyl)pyridine, cyanide to produce 2-(3-bromopyridin-2-yl)acetonitrile, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1COCCO1", "O"], "agent": ["[Na+]"]} |
Using methyl 4-(1-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl)benzoate to produce 4-(1-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl)benzoic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["[K+]", "Cl", "[OH-]"]} |
Using formamide, 1-(1-(4-chlorophenyl)cyclobutyl)propan-2-one to produce 1-(1-(4-chlorophenyl)cyclobutyl)propan-2-amine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O=CO", "O"], "agent": ["Cl"]} |
Using ethyl 5-((3-fluorophenyl)sulfonyl)-3-(4-(4-methylpiperazin-1-yl)-3-nitrobenzamido)-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate to produce ethyl 3-(3-amino-4-(4-methylpiperazin-1-yl)benzamido)-5-((3-fluorophenyl)sulfonyl)-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["Cl", "Cl[Sn]Cl"]} |
Using methyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate, octadecan-1-amine to produce N-octadecylacrylamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "ClC(Cl)Cl"], "agent": ["Cl"]} |
Using methyl (Z)-7-((1R,2S,3R)-2-(5,5-difluoro-4-hydroxyoctyl)-3-methyl-5-oxocyclopentyl)hept-5-enoate to produce methyl (Z)-7-((1R,2S,3R)-2-(5,5-difluoro-4-oxooctyl)-3-methyl-5-oxocyclopentyl)hept-5-enoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl", "c1ccncc1"], "agent": ["O=[Cr](=O)=O"]} |
Using 3-bromo-4-methylbenzamide, N-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl)thiophene-3-carboxamide to produce N-(6-(5-carbamoyl-2-methylphenyl)naphthalen-2-yl)thiophene-3-carboxamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1COCCO1", "O"], "agent": ["O=C([O-])[O-]", "[K+]", "[Pd]"]} |
Using L-lysine to produce L-lysinate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[OH-]", "[Zn+2]"]} |
Using cyanide, 2-bromo-1-(5-bromothiophen-2-yl)ethan-1-one to produce 3-(5-bromothiophen-2-yl)-3-oxopropanenitrile, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[K+]"]} |
Using 4-azido-N-ethylbenzamide, methyl 3-oxoheptanoate to produce 5-butyl-1-(4-(ethylcarbamoyl)phenyl)-1H-1,2,3-triazole-4-carboxylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CO"], "agent": ["C[O-]", "[Na+]", "[OH-]"]} |
Using 5-(5-(chloromethyl)-2-propoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one to produce 1-methyl-5-(5-methyl-2-propoxyphenyl)-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O"], "agent": ["[Pd]"]} |
Using 3-amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one to produce 3-amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(C)O", "C1CCOC1"], "agent": ["[Na+]", "CS(=O)(=O)O", "[BH4-]"]} |
Using 8-(trifluoromethyl)isoquinolin-5-amine, 1-(isocyanatomethyl)-4-(trifluoromethyl)benzene to produce 1-(4-(trifluoromethyl)benzyl)-3-(8-(trifluoromethyl)isoquinolin-5-yl)urea, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using 3-bromopropan-1-ol, tert-butyl piperazine-1-carboxylate to produce tert-butyl 4-(3-hydroxypropyl)piperazine-1-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(C)=O"], "agent": ["O=C([O-])[O-]", "[I-]", "[K+]"]} |
Using (R)-3-(cyclohexylmethyl)-4-methoxy-4-oxobutanoic acid, N1-(4-fluorophenyl)ethane-1,2-diamine to produce methyl (R)-2-(cyclohexylmethyl)-4-((2-((4-fluorophenyl)amino)ethyl)amino)-4-oxobutanoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl", "CCN(C(C)C)C(C)C"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2cccnc21)=[N+](C)C"]} |
Using ethyl (R)-2-(4-(1-(4-(heptyloxy)phenyl)-5-methyl-1H-pyrrol-2-yl)phenoxy)-3-phenylpropanoate to produce (R)-2-(4-(1-(4-(heptyloxy)phenyl)-5-methyl-1H-pyrrol-2-yl)phenoxy)-3-phenylpropanoic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["[K+]", "Cl", "[OH-]"]} |
Using methyl 2-(2-bromophenyl)acetate, 4-methylbenzaldehyde to produce methyl 3-hydroxy-2-phenyl-3-(p-tolyl)propanoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOCC", "C1CCOC1"], "agent": ["[Zn]", "Cl", "II"]} |
Using 4-chlorophenol, 1-bromo-3-chloropropane to produce 1-chloro-4-(3-chloropropoxy)benzene, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O"], "agent": ["[Br-]", "[Na+]", "[OH-]"]} |
Using methyl (S)-2-amino-4-((2-methoxyethyl)(methyl)amino)butanoate, 5-(2,4-difluorophenoxy)-1-isobutyl-1H-indazole-6-carboxylic acid to produce methyl (S)-2-(5-(2,4-difluorophenoxy)-1-isobutyl-1H-indazole-6-carboxamido)-4-((2-methoxyethyl)(methyl)amino)butanoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(Cl)Cl", "CCN(CC)CC"], "agent": ["CCN=C=NCCCN(C)C", "On1nnc2ccccc21", "Cl"]} |
Using carbonate, 5-bromo-2-chloro-N-(3-cyano-1-phenyl-1H-pyrazol-5-yl)benzamide to produce 5-(5-bromo-2-chlorobenzamido)-1-phenyl-1H-pyrazole-3-carboxamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CS(C)=O"], "agent": ["OO", "[K+]"]} |
Using aceticanhydride, 6-hydroxy-[1,1'-biphenyl]-3-carboxylic acid to produce 6-acetoxy-[1,1'-biphenyl]-3-carboxylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using methyl 2-amino-2-methylpropanoate, 2-chloroacetyl chloride to produce methyl 2-(2-chloroacetamido)-2-methylpropanoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "O"], "agent": ["O=C([O-])[O-]", "[K+]", "Cl"]} |
Using 4-(benzyloxy)phenol, 5-bromopyrimidine to produce 4-(pyrimidin-5-yloxy)phenol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "O"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)propionamide, 2-(4-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine to produce N-(4-(2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-yl)propionamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1COCCO1", "CCOC(C)=O"], "agent": ["O=C([O-])[O-]", "[Na+]"]} |
Using tert-butyl 8-((2,6-dimethylcyclohexyl)oxy)-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate to produce 8-((2,6-dimethylcyclohexyl)oxy)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O"], "agent": ["Cl"]} |
Using 2-ethyl-2-(hydroxymethyl)butane-1-sulfonamide, 6-chloroimidazo[1,2-b]pyridazine to produce 2-ethyl-2-((imidazo[1,2-b]pyridazin-6-yloxy)methyl)butane-1-sulfonamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "Cl", "[H-]"]} |
Using 2-bromo-1,1-diethoxyethane, 2-methylbenzenethiol to produce (2,2-diethoxyethyl)(o-tolyl)sulfane, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[Na]"]} |
Using 2-morpholinoethan-1-amine, ethyl 1-(2-(1,3-dioxoisoindolin-2-yl)ethyl)-7-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxylate to produce 1-(2-aminoethyl)-7-(4-fluorobenzyl)-4-hydroxy-N-(2-morpholinoethyl)-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO", "O"], "agent": ["NN"]} |
Using 2,4-dichloro-1,1,1-trifluoro-5-methylhex-2-ene to produce 2-chloro-1,1,1-trifluoro-5-methylhexa-2,4-diene, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "O"], "agent": ["[Cl-]", "[Li+]"]} |
Using ethyl 6-chloro-4-(2-chlorobenzyl)-2-(((trifluoromethyl)sulfonyl)oxy)quinoline-3-carboxylate, dimethylamine to produce ethyl 6-chloro-4-(2-chlorobenzyl)-2-(dimethylamino)quinoline-3-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using ethyl 1H-pyrazole-3-carboxylate, 2-bromo-1-(3,4-dimethoxyphenyl)ethan-1-one to produce ethyl 1-(2-(3,4-dimethoxyphenyl)-2-oxoethyl)-1H-pyrazole-5-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using acetylacetone, 3-((diethylamino)methyl)aniline to produce 4-((3-((diethylamino)methyl)phenyl)amino)pent-3-en-2-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)O", "Cc1ccccc1"], "agent": ["Cc1ccc(S(=O)(=O)O)cc1"]} |
Using tert-butyl 5-(3-methoxy-3-oxoprop-1-en-1-yl)-2-methyl-1H-indole-1-carboxylate to produce tert-butyl 5-(3-hydroxyprop-1-en-1-yl)-1H-indole-1-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Al+3]", "[Li+]", "[H-]"]} |
Using 2,2'-(diazene-1,2-diyl)bis(2-methylpropanoate), 2-methylpropylamine to produce 2,2'-(diazene-1,2-diyl)bis(N-isobutyl-2-methylpropanamide), please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CO"], "agent": ["C[O-]", "[Na+]"]} |
Using 2-(6-(((((1,2-dimethyl-1H-imidazol-5-yl)(phenyl)methylene)amino)oxy)methyl)pyridin-2-yl)isoindoline-1,3-dione to produce (1,2-dimethyl-1H-imidazol-5-yl)(phenyl)methanone O-((6-aminopyridin-2-yl)methyl) oxime, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["NN"]} |
Using benzyl (2,2-dimethoxyethyl)carbamate to produce benzyl (2-oxoethyl)carbamate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["O=C(O)C(=O)O"]} |
Using 8,8'-((5-nitroisophthaloyl)bis(azanediyl))bis(naphthalene-1,3,6-trisulfonic acid) to produce 8,8'-((5-aminoisophthaloyl)bis(azanediyl))bis(naphthalene-1,3,6-trisulfonic acid), please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O"], "agent": ["[Pd]"]} |
Using 4-iodophenol, 6-chloronicotinamide to produce 6-(4-iodophenoxy)nicotinamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CC(=O)N(C)C"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using tert-butyl ((2R,3R)-3-(benzyloxy)-1-(2-oxo-2-(3,4,5-trifluorophenyl)ethoxy)butan-2-yl)carbamate to produce (R)-1-((3R,5R)-5-(3,4,5-trifluorophenyl)morpholin-3-yl)ethan-1-ol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O"], "agent": ["Cl"]} |
Using N-((1-benzylpyrrolidin-3-yl)methyl)ethanamine to produce N-(pyrrolidin-3-ylmethyl)ethanamine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[H][H]", "[Pd]"]} |
Using 2,2,2-trifluoroethyl trifluoromethanesulfonate, 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4-ol to produce 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)pyridazin-4(1H)-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "CO"], "agent": ["[Na+]", "[H-]"]} |
Using n,n-dimethylformamide, ((1R,2R)-2-(((tert-butyldiphenylsilyl)oxy)methyl)cyclopropyl)methyl methanesulfonate to produce 2-((1S,2R)-2-(((tert-butyldiphenylsilyl)oxy)methyl)cyclopropyl)acetonitrile, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O"], "agent": ["[K+]", "[C-]#N"]} |
Using methyl (5-(2-(pyridin-3-yl)vinyl)-[1,1'-biphenyl]-2-carbonyl)-L-methioninate to produce methyl (5-(2-(pyridin-3-yl)ethyl)-[1,1'-biphenyl]-2-carbonyl)-L-methioninate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["[Pd]"]} |
Using 2-((cyclopentylmethyl)(ethyl)amino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile to produce 3-(aminomethyl)-N-(cyclopentylmethyl)-N-ethyl-5,6,7,8-tetrahydroquinolin-2-amine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Al+3]", "[Li+]", "[H-]"]} |
Using 1,5-dimethyl-4-nitro-1H-pyrazole to produce 1,5-dimethyl-1H-pyrazol-4-amine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["Cl", "[Pd]"]} |
Using 2-(5-methyl-1H-indol-3-yl)ethan-1-amine, 1-fluoro-2,4-dinitrobenzene to produce N-(2-(5-methyl-1H-indol-3-yl)ethyl)-2,4-dinitroaniline, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CCO"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using tert-butyl (S)-(1-hydroxy-3-(3-iodophenyl)propan-2-yl)carbamate, ethynyltrimethylsilane to produce tert-butyl (S)-(1-hydroxy-3-(3-((trimethylsilyl)ethynyl)phenyl)propan-2-yl)carbamate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCN(CC)CC", "C1CCOC1"], "agent": ["[Cu]I", "Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]} |
Using tert-butyl (tert-butoxycarbonyl)(2-(4-(3,5-dimethylpyridin-2-yl)piperazine-1-carbonyl)-5-(2-methyl-5-oxopyrrolidin-1-yl)benzoyl)carbamate to produce 2-(4-(3,5-dimethylpyridin-2-yl)piperazine-1-carbonyl)-N,N-dimethyl-5-(2-methyl-5-oxopyrrolidin-1-yl)benzamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["CNC"]} |
Using tert-butyl 3-(methylsulfonamidomethyl)-5-nitro-4-sulfamoylthiophene-2-carboxylate to produce 4-(methylsulfonamidomethyl)-2-nitrothiophene-3-sulfonamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1COCCO1"], "agent": ["Cl"]} |
Using hydrogen carbonate, 3,5-difluoropicolinonitrile to produce 3,5-difluoropicolinaldehyde, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl"], "agent": ["[Na+]", "Cl", "CC(C)C[AlH]CC(C)C"]} |
Using (2,4-dihydroxyphenyl)(phenyl)methanone, 4-(chloromethyl)-5-methyl-2-phenyloxazole to produce (2-hydroxy-4-((5-methyl-2-phenyloxazol-4-yl)methoxy)phenyl)(phenyl)methanone, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using tert-butyl (3-chloro-5-(pyrimidin-5-yloxy)phenyl)carbamate to produce 3-chloro-5-(pyrimidin-5-yloxy)aniline, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1COCCO1"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using 4,6-dichloro-2-cyclopropyl-5-nitropyrimidine to produce 4,6-dichloro-2-cyclopropylpyrimidin-5-amine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[Ni]"]} |
Using 2-ethoxy-1,8,9,9,10,10-hexafluoro-9,10-dihydrophenanthrene, diiodine to produce 2-ethoxy-1,8,9,9,10,10-hexafluoro-7-iodo-9,10-dihydrophenanthrene, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using 3-(2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl)-4-fluoro-N-methyl-1H-indole-7-carboxamide to produce 3-(2-(4-benzoylpiperazin-1-yl)-1-hydroxy-2-oxoethyl)-4-fluoro-N-methyl-1H-indole-7-carboxamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[Na+]", "[BH4-]"]} |
Using phenolate, 6-(4-fluorophenyl)-7-(2-(methylsulfonyl)pyrimidin-4-yl)-5-oxo-2,3-dihydro-1H,5H-pyrazolo[1,2-a]pyrazol-2-yl pivalate to produce 2-(4-fluorophenyl)-6-hydroxy-3-(2-phenoxypyrimidin-4-yl)-6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazol-1-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]"]} |
Using methyl 4-(2-(2-((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)thio)thiazol-4-yl)ethoxy)-4'-fluoro-[1,1'-biphenyl]-3-carboxylate to produce 4-(2-(2-((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)thio)thiazol-4-yl)ethoxy)-4'-fluoro-[1,1'-biphenyl]-3-carboxylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using methanamine, 5-(5-formylthiophen-2-yl)-3-(1-((3-morpholinopropyl)sulfonyl)piperidin-4-yl)-1H-indole-7-carboxamide to produce 5-(5-((methylamino)methyl)thiophen-2-yl)-3-(1-((3-morpholinopropyl)sulfonyl)piperidin-4-yl)-1H-indole-7-carboxamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl", "CO"], "agent": ["[Na+]", "[BH4-]"]} |
Using tert-butyl 6-fluoro-1H-benzo[d]imidazole-1-carboxylate, ethyl 4-((3-chloropyrazin-2-yl)oxy)benzoate to produce (4-((3-chloropyrazin-2-yl)oxy)phenyl)(6-fluoro-1H-benzo[d]imidazol-2-yl)methanone, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["C[Si](C)(C)[N-][Si](C)(C)C", "[Li+]"]} |
Using guanidine, ethyl 4,4-diethoxy-3-oxobutanoate to produce 2-amino-6-(diethoxymethyl)pyrimidin-4(3H)-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["O=C(O)O"]} |
Using (tert-butoxycarbonyl)-L-leucine, (3aS,4R,6aR)-2-(3-(trifluoromethyl)benzyl)octahydrocyclopenta[c]pyrrol-4-amine to produce tert-butyl ((S)-4-methyl-1-oxo-1-(((3aS,4R,6aR)-2-(3-(trifluoromethyl)benzyl)octahydrocyclopenta[c]pyrrol-4-yl)amino)pentan-2-yl)carbamate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl"], "agent": ["CCN=C=NCCCN(C)C", "Oc1cccc2[nH]nnc12"]} |
Using ethyl 3-(2-fluoro-4-((4'-hydroxy-2',6'-dimethyl-[1,1'-biphenyl]-3-yl)methoxy)phenyl)propanoate, tetrahydro-2H-thiopyran-4-ol to produce ethyl 3-(4-((2',6'-dimethyl-4'-((tetrahydro-2H-thiopyran-4-yl)oxy)-[1,1'-biphenyl]-3-yl)methoxy)-2-fluorophenyl)propanoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "CCOC(=O)N=NC(=O)OCC"]} |
Using 3-(3-hydroxy-1,3-dihydrofuro[3,4-c]pyridin-1-yl)benzonitrile to produce 3-(hydroxy(3-(hydroxymethyl)pyridin-4-yl)methyl)benzonitrile, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "CCO"], "agent": ["[Na+]", "[BH4-]"]} |
Using hydroxide, 5-heptyldihydrofuran-2(3H)-one to produce 4-hydroxyundecanoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["[Na+]"]} |
Using 2-chloro-6-(6-chloro-2-fluoro-3-methylphenoxy)isonicotinonitrile, 1-bromopyrrolidine-2,5-dione to produce 2-(3-(bromomethyl)-6-chloro-2-fluorophenoxy)-6-chloroisonicotinonitrile, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClC(Cl)(Cl)Cl"], "agent": ["CC(C)(C#N)N=NC(C)(C)C#N"]} |
Using amide, 7-methoxyisoquinoline to produce 1-aminoisoquinolin-7-ol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "Cc1ccccc1C"], "agent": ["Br", "[Na+]"]} |
Using methyl 2-((6-amino-3-cyano-2-methylpyridin-4-yl)oxy)acetate to produce methyl 2-((6-amino-3-(aminomethyl)-2-methylpyridin-4-yl)oxy)acetate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO", "CO"], "agent": ["Cl", "[Pd]"]} |
Using (2-(1H-imidazol-1-yl)pyridin-3-yl)(4-chlorophenyl)methanone to produce (2-(1H-imidazol-1-yl)pyridin-3-yl)(4-chlorophenyl)methanol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO", "O"], "agent": ["[Na+]", "[BH4-]"]} |
Using ethynylbenzene, 5-bromo-2-nitroaniline to produce 2-nitro-5-(phenylethynyl)aniline, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "CC(C)NC(C)C"], "agent": ["I[Cu]I", "Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]} |
Using n,n-dimethylformamide, ethyl 1-cyclopropyl-4-methoxy-1H-indole-6-carboxylate to produce ethyl 1-cyclopropyl-3-formyl-4-methoxy-1H-indole-6-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "O=P(Cl)(Cl)Cl"], "agent": ["[Na+]", "[OH-]"]} |
Using tert-butyl ((1r,4r)-4-((3-(3-amino-4-nitrophenoxy)-5-(4-cyanophenoxy)phenyl)carbamoyl)cyclohexyl)carbamate to produce tert-butyl ((1r,4r)-4-((3-(4-cyanophenoxy)-5-(3,4-diaminophenoxy)phenyl)carbamoyl)cyclohexyl)carbamate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["[NH4+]", "[Cl-]", "[Zn]"]} |
Subsets and Splits