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stringlengths 25
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CC(C)Oc1cc(O)cc(OC(C)C)c1.CCN(C(C)C)C(C)C.ClCCl.O.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.[Cl-].[Na+]>>CC(C)Oc1cc(OC(C)C)cc(OS(=O)(=O)C(F)(F)F)c1 | 731 |
C1CCOC1.O=C(O)Cc1ccc(OCCOC2CCCCO2)c2ccoc12.[NH4+].[OH-]>>NC(=O)Cc1ccc(OCCOC2CCCCO2)c2ccoc12 | 313 |
CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.ClC(Cl)Cl.NCC1CCNCC1>>CC(C)(C)OC(=O)N1CCC(CN)CC1 | 694 |
CC(=O)Cl.CCN(CC)CC.Nc1ccccc1B(O)O>>CC(=O)Nc1ccccc1B(O)O | 9 |
C1COCCO1.CCCc1nc(C)cc(=O)n1CCOc1ccc(C=C2SC(=O)NC2=O)cc1.[H][H].[Pd]>>CCCc1nc(C)cc(=O)n1CCOc1ccc(CC2SC(=O)NC2=O)cc1 | 762 |
CCO.Cc1cc(OCc2ncccn2)ccc1[N+](=O)[O-].O.[Cl-].[NH4+]>>Cc1cc(OCc2ncccn2)ccc1N | 202 |
CCCCCCCCCCCCCCOc1ccc(C(=O)O)o1.CCCC[N+](CCCC)(CCCC)CCCC.CCOC(C)=O.CN(C)C=O.ClCCCBr.O.O.O.O.O.O.O.[Cl-].[I-].[Na+].[Na+].[OH-]>>CCCCCCCCCCCCCCOc1ccc(C(=O)OCCCCl)o1 | 416 |
CO.COC(=O)c1cnc(Cl)nc1C(F)(F)F.C[O-]~[Na+]>>COC(=O)c1cnc(OC)nc1C(F)(F)F | 37 |
C1CCOC1.CCOC(C)=O.Clc1ncc(Br)cn1.O.OC1CCOCC1.[H-]~[Na+]>>Brc1cnc(OC2CCOCC2)nc1 | 37 |
CCN1C(=O)OCCc2ccc(C(=O)OC(C)(C)C)cc21.ClCCl.O=C(O)C(F)(F)F>>CCN1C(=O)OCCc2ccc(C(=O)O)cc21 | 752 |
CC(C)(C)OC(=O)CNS(=O)(=O)CC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1.ClCCl.O=C(O)C(F)(F)F>>O=C(O)CNS(=O)(=O)CC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 | 278 |
CO.Cn1c(CN2CCCC2=O)cnc1-c1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2s1.O.[Cl-]~[NH4+].[Zn]>>Cn1c(CN2CCCC2=O)cnc1-c1cc2nccc(Oc3ccc(N)cc3F)c2s1 | 335 |
C1CCOC1.CCOc1ccc(F)c(O[Si](C)(C)C(C)(C)C)c1.CN(C)C=O.CN(C)CCN(C)CCN(C)C.[Li]CCCC>>CCOc1cc(C=O)c(F)c(O[Si](C)(C)C(C)(C)C)c1 | 239 |
O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1.O=S(=O)([O-])[O-]~[Ba+2]~[Pd]>>O=C(Cn1ccc2cc(O)ccc21)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 | 23 |
CC(C)CBr.CN(C)C=O.Clc1ccc(-c2cc[nH]n2)s1.O=C([O-])[O-].[Cs+].[Cs+]>>CC(C)Cn1ccc(-c2ccc(Cl)s2)n1 | 577 |
C1CCNC1.C1CCOC1.CC(=O)O[BH-](OC(C)=O)OC(C)=O.CCOC(C)=O.O=C([O-])O.O=Cc1cc(F)cc(F)c1.[Na+].[Na+]>>Fc1cc(F)cc(CN2CCCC2)c1 | 567 |
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O.CCN=C=NCCCN(C)C.Cc1sc(C(=O)c2cncnc2N[C@@H]2C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)C2)cc1[C@@H]1OCCc2ccc(Cl)cc21.Cl.ClCCl>>Cc1sc(C(=O)c2cncnc2N[C@@H]2C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C2)cc1[C@@H]1OCCc2ccc(Cl)cc21 | 17 |
CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CNCCCCCCNC.ClCCl>>CNCCCCCCN(C)C(=O)OC(C)(C)C | 694 |
CCCNC(=O)N(Cc1ccc(Cl)c(Cl)c1)NC(=O)CCCc1ccc(OC(C)(C)C(=O)OCC)cc1.CO.[Na+]~[OH-]>>CCCNC(=O)N(Cc1ccc(Cl)c(Cl)c1)NC(=O)CCCc1ccc(OC(C)(C)C(=O)O)cc1 | 192 |
C1CCOC1.C1COCCN1.CC(=O)O.CC(=O)O[BH-](OC(C)=O)OC(C)=O.CCOc1cc(C=O)ccc1[N+](=O)[O-].[Na+]>>CCOc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] | 567 |
C1CCOC1.CCOC(=O)c1sc(-c2ccc(SCC(C)C)c(-n3cnnn3)c2)nc1C.CO.Cl.O.[Na+].[OH-]>>Cc1nc(-c2ccc(SCC(C)C)c(-n3cnnn3)c2)sc1C(=O)O | 171 |
C1CCOC1.CO.COC(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCCC4)c3n2)nc1.Cl.O.[Li+]~[OH-]>>CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)O)cn3)nc2n1C1CCCCC1 | 152 |
COC(=O)c1ncc2c(cc(-c3ccc(OC(F)(F)F)cc3)c(=O)n2Cc2ccccc2)c1O.C[O-]~[Na+].NCCC(=O)O>>O=C(O)CCNC(=O)c1ncc2c(cc(-c3ccc(OC(F)(F)F)cc3)c(=O)n2Cc2ccccc2)c1O | 487 |
O=[Mn]=O.OCc1cc2cccnn2c1-c1ccccn1>>O=Cc1cc2cccnn2c1-c1ccccn1 | 520 |
BrCc1ccccc1.O=C(O)COc1ccc(CCC(O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)cc1F.[H-].[Na+]>>O=C(O)COc1ccc(CCC(OCc2ccccc2)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)cc1F | 464 |
CCO.CO~ClCCl.O=C(OCc1ccccc1)N1CCCC(Cn2ccc3cc(-c4cnn(C5CCCCO5)c4)ccc32)CC1.[H][H].[Pd]>>c1cc2c(ccn2CC2CCCNCC2)cc1-c1cnn(C2CCCCO2)c1 | 428 |
CCOC(C)=O.CCc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(Cl)cc2C1=O.[H][H].[Ni]>>CCc1cc(N)ccc1N1C(=O)c2ccc(Cl)cc2C1=O | 1 |
CC(C)(C)OC(=O)Nc1nc(/C(=N/OC(C)(C)C(=O)OC(C)(C)C)C(=O)O)cs1.CN1CCOCC1.Cl.ClCCl.N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@H]12.O=P(Cl)(Cl)Oc1ccccc1>>CC(C)(C)OC(=O)Nc1nc(/C(=N/OC(C)(C)C(=O)OC(C)(C)C)C(=O)N[C@@H]2C(=O)N3C(C(=O)OC(c4ccccc4)c4ccccc4)=C(CCl)CS[C@H]23)cs1 | 587 |
CC#N.CN(C)C(=O)Cl.NCCc1cccc(-c2nc(=O)c3ccccc3s2)n1.O=C(O)C(F)(F)F.O=C([O-])[O-].[K+].[K+]>>CN(C)C(=O)NCCc1cccc(-c2nc(=O)c3ccccc3s2)n1 | 454 |
CC(C)(C)OC(=O)NCCCN.CN(C)C=O.Nc1nc(Cl)ccc1[N+](=O)[O-].O.O=C([O-])O~[K+]>>CC(C)(C)OC(=O)NCCCNc1ccc([N+](=O)[O-])c(N)n1 | 70 |
C1CCOC1.CCOC(C)=O.COC(=O)CC(c1ccccc1)c1cccc(OC)c1.O=S(=O)(O)O.[Al+3]~[H-]~[H-]~[H-]~[H-]~[Li+]>>COc1cccc(C(CCO)c2ccccc2)c1 | 343 |
Cc1ccccc1.Cc1oc(-c2ccccc2)nc1COc1ccc(CO)cn1.O=C([O-])O.O=S(Cl)Cl.[Na+]>>Cc1oc(-c2ccccc2)nc1COc1ccc(CCl)cn1 | 477 |
CCO.CCOC(=O)CCc1ccc(OCC2CCCCC2)c(-c2cc(CCC(=O)OCC)ccc2OCC2CCCCC2)c1.Cl.[Na+]~[OH-]>>O=C(O)CCc1ccc(OCC2CCCCC2)c(-c2cc(CCC(=O)O)ccc2OCC2CCCCC2)c1 | 255 |
C1CCNC1.CN(C)C=O.Cc1c(C(=O)O)sc2nc[nH]c(=O)c12.O=S(Cl)Cl>>Cc1c(C(=O)N2CCCC2)sc2nc[nH]c(=O)c12 | 857 |
CCCCC12Cc3cc(OCOC)ccc3C1=C(C)C(=O)C(C)(C)C2.CCOC(C)=O.CO.Cl.O=C([O-])O.[Na+]>>CCCCC12Cc3cc(O)ccc3C1=C(C)C(=O)C(C)(C)C2 | 755 |
C1CCOC1.CCCCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)OCC)cn1C(CC)C2.Cl.[Na+].[OH-]>>CCCCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1C(CC)C2 | 171 |
Clc1ccc(Cl)c(C2CCCCC2)c1.O=S(=O)(O)O.O=[N+]([O-])O>>O=[N+]([O-])c1cc(Cl)c(C2CCCCC2)cc1Cl | 21 |
CO.Cc1ccc(-n2cc(-c3ccccn3)nc2-c2ccc(Nc3ccncc3[N+](=O)[O-])cc2)cn1.[H][H].[Pd]>>Cc1ccc(-n2cc(-c3ccccn3)nc2-c2ccc(Nc3ccncc3N)cc2)cn1 | 269 |
CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CN(C)C=O.CN(C)c1ccncc1.Cc1[nH]nc2c1c(=O)[nH]c1cc3ccccc3cc12>>Cc1c2c(=O)[nH]c3cc4ccccc4cc3c2nn1C(=O)OC(C)(C)C | 841 |
B.C1CCOC1.C1CCOC1.O.O=C(O)c1ccc(Br)cc1Cl.O=C([O-])[O-].[K+].[K+]>>OCc1ccc(Br)cc1Cl | 72 |
CC(C)(C)[O-]~[K+].CC(C)S(=O)(=O)Cl.CN(C)C=O.Cn1ccc2c(O)cc(Cc3cnc(N)nc3N)cc21>>CC(C)S(=O)(=O)Oc1cc(Cc2cnc(N)nc2N)cc2c1ccn2C | 149 |
CCCN.CCN(CC)CC.COC(=O)Cl.Cc1cccc2ncc(C(=O)O)c(=O)n12.ClC(Cl)Cl>>CCCNC(=O)c1cnc2cccc(C)n2c1=O | 737 |
C1CCOC1.C=Cc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C(=O)OC)c2)ccc1NS(=O)(=O)c1ccc(C)cc1.Cl.O.[Li+]~[OH-]>>C=Cc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C(=O)O)c2)ccc1NS(=O)(=O)c1ccc(C)cc1 | 247 |
CO.COC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1.Cl.O=C([O-])O~[Na+].[Fe]>>COC(=O)c1ccc(-c2cccc(N)c2)cc1 | 1 |
CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21.CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CCO)OC1.CCCCCC.CCOC(C)=O.ClCCl.O=C([O-])O~[Na+].O=S([O-])([O-])=S~[Na+]~[Na+]>>CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CC=O)OC1 | 142 |
CCO.COc1cncc(C(=O)NC23C(=O)c4c([N+](=O)[O-])cccc4C2(O)Oc2cc(C(C)C)ccc23)c1.Cl.O.[Fe]>>COc1cncc(C(=O)NC23C(=O)c4c(N)cccc4C2(O)Oc2cc(C(C)C)ccc23)c1 | 706 |
COc1ccc(F)cc1OC.Cl.ClCCCl.O=C(Cl)c1ccccc1.[Al+3]~[Cl-]~[Cl-]~[Cl-]>>COc1cc(F)c(C(=O)c2ccccc2)cc1OC | 61 |
C1CCOC1.CCOC(=O)CNCCOc1ccc(CCCCNC(=O)OC(C)(C)C)cc1.Cl.[Li+].[OH-]>>CC(C)(C)OC(=O)NCCCCc1ccc(OCCNCC(=O)O)cc1 | 7 |
C1CCC(NCC2CC2)CC1.CC(C)NC(C)C.CCO.CNS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ncn2)c(C)c1>>CNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1 | 162 |
CC#N.CC(C)c1nc(C(=O)N2CCOC3(CCNCC3)C2)cs1.CS(=O)(=O)OCCc1ccc(CCO)cc1.O.O=C(O)C(F)(F)F.O=C([O-])[O-].[K+].[K+]>>CC(C)c1nc(C(=O)N2CCOC3(CCN(CCc4ccc(CCO)cc4)CC3)C2)cs1 | 496 |
CC(C)O.CCOC(=O)C1CCN(CCc2cccc(-c3cnc(-c4ccc(OC(C)C)c(Cl)c4)s3)c2CC)CC1.O.[Na+]~[OH-]>>CCc1c(CCN2CCC(C(=O)O)CC2)cccc1-c1cnc(-c2ccc(OC(C)C)c(Cl)c2)s1 | 7 |
CC(C)(C)OC(=O)CC(=O)c1cccc(-c2cnccn2)c1.CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)c(Cl)cc1N>>CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)c(Cl)cc1NC(=O)CC(=O)c1cccc(-c2cnccn2)c1 | 929 |
CCO.Clc1ccc(CN2CCNCC2)cc1.O=c1cc(OCc2ccccc2)c2ccc(OCC3CO3)cc2o1>>O=c1cc(OCc2ccccc2)c2ccc(OCC(O)CN3CCN(Cc4ccc(Cl)cc4)CC3)cc2o1 | 76 |
CC(C)=O.CCOC(=O)C1=C(C)Nc2cc[nH]c(=O)c2C1c1cccc([N+](=O)[O-])c1.CN(C)CCCCl.O.O=C([O-])[O-]~[K+]~[K+]>>CCOC(=O)C1=C(C)Nc2ccn(CCCN(C)C)c(=O)c2C1c1cccc([N+](=O)[O-])c1 | 42 |
CO.Cc1cc(C)c(Cn2c(C(=O)NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc3ccc(C#N)cc32)c(C)c1.[H][H].[Pd]>>Cc1cc(C)c(Cn2c(C(=O)NS(=O)(=O)c3cccc(N)c3)cc3ccc(C#N)cc32)c(C)c1 | 1 |
BrCc1cccc(Br)c1.C1CCOC1.CCOC(=O)CC1(c2ccc(O)cc2)COC1.O=C([O-])[O-]~[Cs+]~[Cs+]>>CCOC(=O)CC1(c2ccc(OCc3cccc(Br)c3)cc2)COC1 | 127 |
C1CCOC1.C1COCCO1.CCN=C=NCCCN(C)C.Cc1cc(F)cc(C(=O)O)c1N.Cl.N.O.On1nnc2ccccc21>>Cc1cc(F)cc(C(N)=O)c1N | 358 |
C1CCOC1.CCCP(=O)=O.CCN(C(C)C)C(C)C.CCOC(C)=O.Cl~NC(C1CC1)C(F)(F)F.N#CCC(=O)O.O=C([O-])O~[Na+]>>N#CCC(=O)NC(C1CC1)C(F)(F)F | 230 |
C1COCCO1~Cl.CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccncc3)nc3c(-c4cc[nH]n4)ncc(Cl)c23)CC1>>Clc1cnc(-c2cc[nH]n2)c2nc(-c3ccncc3)nc(N3CCNCC3)c12 | 575 |
CCN=C=NCCCN(C)C.Cl.ClCCl.Fc1ccc(N2CCNCC2)cc1.Nc1onc(-c2cccc(OC(F)(F)F)c2)c1C(=O)O>>Nc1onc(-c2cccc(OC(F)(F)F)c2)c1C(=O)N1CCN(c2ccc(F)cc2)CC1 | 975 |
CC(C)(C)OC(=O)N1CCC(O)(c2cccc(C#N)c2)CC1.CO~N.[Rh]>>CC(C)(C)OC(=O)N1CCC(O)(c2cccc(CN)c2)CC1 | 175 |
C1CCOC1.C1CNC1.CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(Br)sc2c1OS(=O)(=O)C(F)(F)F.[Cl-].[NH4+]>>CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(N3CCC3)sc2c1OS(=O)(=O)C(F)(F)F | 657 |
CCO.CC[O-]~[Na+].Nc1cc(Cl)nc(Cl)c1.O>>CCOc1cc(N)cc(Cl)n1 | 433 |
CO.COC(=O)CCCCC(CCNS(=O)(=O)c1ccc(Cl)cc1)Cc1cccnc1.[Na+]~[OH-]>>O=C(O)CCCCC(CCNS(=O)(=O)c1ccc(Cl)cc1)Cc1cccnc1 | 88 |
CC(=O)O~O.Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(CCC2OCCO2)cc1>>Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(CCC=O)cc1 | 740 |
CCOC(=O)CC1(C)OCCO1.CO.Cl.[Na+]~[OH-]>>CC1(CC(=O)O)OCCO1 | 7 |
CS(C)=O.FC(F)c1ccc(Br)cc1.O.O=C(O)c1ccccn1.O=P([O-])([O-])[O-].O=S1(=O)CCN2C(=N1)C1(c3ccc(O)cc3)CCC2CC1.[Cu]I.[K+].[K+].[K+]>>O=S1(=O)CCN2C(=N1)C1(c3ccc(Oc4ccc(C(F)F)cc4)cc3)CCC2CC1 | 238 |
Cc1ccc2nc(N3CCSc4ccccc4C3)nc(NCCNC(=O)OC(C)(C)C)c2c1.ClCCl.O=C(O)C(F)(F)F>>Cc1ccc2nc(N3CCSc4ccccc4C3)nc(NCCN)c2c1 | 538 |
CC(N)c1cccc2ccccc12.COc1ccc(-c2ccc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)cn3CC(=O)O)cc2)cc1>>COc1ccc(-c2ccc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)cn3CC(=O)NC(C)c3cccc4ccccc34)cc2)cc1 | 599 |
C=O.CC(=O)O.CC(=O)O[BH-](OC(C)=O)OC(C)=O~[Na+].CO.O=C(N[C@@H]1CC(=O)N(c2ccc3c(c2)CCNCC3)C1)OCc1ccccc1.O=C([O-])O~[Na+]>>CN1CCc2ccc(N3C[C@H](NC(=O)OCc4ccccc4)CC3=O)cc2CC1 | 217 |
C1CCOC1.CCCCOCCOc1ccc(-c2cnc(N3CCC(COC(C)=O)C3)c(/C=C(\C)C(=O)Nc3ccc(S(=O)Cc4nncn4CCC)cc3)c2)cc1.CO.Cl.O.[Na+]~[OH-]>>CCCCOCCOc1ccc(-c2cnc(N3CCC(CO)C3)c(/C=C(\C)C(=O)Nc3ccc(S(=O)Cc4nncn4CCC)cc3)c2)cc1 | 225 |
CCO.CCOC(C)=O.CN(C(=O)Cc1cccc(-c2ccc(C=C3SC(=O)NC3=O)cc2)c1)c1ccccc1>>CN(C(=O)Cc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1)c1ccccc1 | 762 |
C1COCCO1.COC(=O)/C=C/c1cccc2c1nn1cc(-c3ccccc3)c(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)nc21.Cl>>COC(=O)/C=C/c1cccc2c1nn1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc21 | 793 |
C1CCOC1.CCOC(C)=O.CN(C)C=O.COC(=O)Cl.COCc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)O)c(F)c3)CC2)nc1.NN~O>>COCc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)NN)c(F)c3)CC2)nc1 | 459 |
C1COCCO1.COC(=O)c1sc(-c2cccnc2)cc1N.Cl.[Li+].[OH-]>>Nc1cc(-c2cccnc2)sc1C(=O)O | 152 |
Brc1ccccn1.COCCOC.Cc1ccccc1B(O)O.O=C([O-])O~[Na+].[Pd]~c1ccc(P(c2ccccc2)c2ccccc2)cc1~c1ccc(P(c2ccccc2)c2ccccc2)cc1~c1ccc(P(c2ccccc2)c2ccccc2)cc1~c1ccc(P(c2ccccc2)c2ccccc2)cc1>>Cc1ccccc1-c1ccccn1 | 869 |
CS(C)=O.NC1([C@@H]2CCNC2)CC1.O.O=c1[nH]c(=O)n(C2CC2)c2c(OC(F)F)c(F)c(F)cc12.[Cl-].[Na+]>>NC1([C@@H]2CCN(c3c(F)cc4c(=O)[nH]c(=O)n(C5CC5)c4c3OC(F)F)C2)CC1 | 676 |
CCN(C(C)C)C(C)C.CN(C)C=O.O=C(c1ccccc1)c1cc(Cl)ncn1.O=c1[nH]c2ncccc2n1C1CCNCC1>>O=C(c1ccccc1)c1cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)ncn1 | 162 |
CC(=O)SCCN(Cc1ccc(Cl)nc1)CC(C)C.CCO.CN>>CC(C)CN(CCS)Cc1ccc(Cl)nc1 | 90 |
Brc1ccccc1.CCOCC.CN1CCC(=O)CC1.ClCCl.O.[Li]>>CN1CCC(O)(c2ccccc2)CC1 | 321 |
C1COCCO1.COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Cl)n1.Cl.N[C@@H]1CCC[C@H]1O.O.[H-].[Na+]>>COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(O[C@@H]2CCC[C@H]2N)n1 | 653 |
CO.O=C(O)c1ccc(O)c2[nH]c(-c3ccc(F)cc3)nc12.O=S(=O)(O)O>>COC(=O)c1ccc(O)c2[nH]c(-c3ccc(F)cc3)nc12 | 521 |
BrB(Br)Br.COc1cccc(Br)c1N.ClCCl>>Nc1c(O)cccc1Br | 48 |
CC(=O)Cl.CN(C)C=O.Cl~ClCCCC1NCCc2c1[nH]c1ccccc21.c1ccncc1>>CC(=O)N1CCc2c([nH]c3ccccc23)C1CCCCl | 125 |
CC#N.NC(=O)C1(CNC(=O)Nc2ccc(C(=O)N3CCNCC3)cc2F)CC1.O=C([O-])[O-].OC(c1ccc(CBr)cc1)(C(F)(F)F)C(F)(F)F.[K+].[K+]>>NC(=O)C1(CNC(=O)Nc2ccc(C(=O)N3CCN(Cc4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)CC3)cc2F)CC1 | 248 |
CC1CC(=O)CCN1.Cc1ccc(S(=O)(=O)Cl)cc1.Cl.Cl.ClCCl>>Cc1ccc(S(=O)(=O)N2CCC(=O)CC2C)cc1 | 99 |
CC(C)(C)[O-].CS(C)=O.Cc1ccnc2nc(Cl)[nH]c(=O)c12.Cl.OCCCCCc1ccccc1.[K+]>>Cc1ccnc2nc(OCCCCCc3ccccc3)[nH]c(=O)c12 | 37 |
CO.O=[N+]([O-])c1ccc(OCCCc2ccccc2)cc1.[H][H].[Ni]>>Nc1ccc(OCCCc2ccccc2)cc1 | 202 |
CCO.CCOC(=O)CC1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1.[Pd]>>CCOC(=O)CC1CCN(c2ncc(C#N)cc2N)CC1 | 269 |
COCCOC1CCNCC1~Cl.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)O)c1cc2cc(Cl)ncc2[nH]1>>COCCOC1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc3cc(Cl)ncc3[nH]2)CC1 | 146 |
C1CCOC1.CCN(CC)CC.CCOC(C)=O.CO.COc1cc2nccc(Oc3ccc(N)nc3Cl)c2cc1OC.[C]~[Pd]>>COc1cc2nccc(Oc3ccc(N)nc3)c2cc1OC | 40 |
C1CNC1.CCN(C(C)C)C(C)C.CN(C)C=O.COc1ccc(Nc2nc(Nc3cccc(OCC(=O)O)c3C)ncc2Cl)c(NS(C)(=O)=O)c1.ClCCCl.O.On1nnc2ccccc21>>COc1ccc(Nc2nc(Nc3cccc(OCC(=O)N4CCC4)c3C)ncc2Cl)c(NS(C)(=O)=O)c1 | 146 |
CC(C)(C)OC(=O)N1CCC(N)CC1.CCN(CC)CC.CN(C)C(N(C)C)=[N+]1N=[N+]([O-])c2ncccc21~F[P-](F)(F)(F)(F)F.CN(C)C=O.COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCCC1)CC(F)(F)C(=O)N2C.ClCCl>>COc1cc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCCC1)CC(F)(F)C(=O)N2C | 334 |
C1CCOC1~CCO.CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1F.[H][H].[Pt]>>CC(=O)Nc1cc(N)c(Cl)cc1F | 1 |
Br.CC(=O)O.CCN1c2cc(OC)ccc2C(C)=CC1(C)C.[Na+]~[OH-]>>CCN1c2cc(O)ccc2C(C)=CC1(C)C | 48 |
C1COCCO1.COC(=O)CCn1cnc2c(Cl)ncnc21.O.[Na+].[OH-]>>O=C(O)CCn1cnc2c(Cl)ncnc21 | 88 |
CCc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CCN(C(=O)OCc3ccccc3)CC2)cc1.CO.[Pd]>>CCc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CCNCC2)cc1 | 428 |
COC(=O)c1cc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)ccc1C.N>>Cc1ccc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)cc1C(N)=O | 67 |
C=O.CCS(=O)(=O)c1ccc(Cl)cc1Nn1cnc2cc(CN3CCNCC3)c(C(F)(F)F)cc2c1=O.O=CO>>CCS(=O)(=O)c1ccc(Cl)cc1Nn1cnc2cc(CN3CCN(C)CC3)c(C(F)(F)F)cc2c1=O | 217 |
CN(C)C=O.ClCCBr.O=C([O-])[O-]~[K+]~[K+].Oc1cccc2c1c1cccc3c1n2C(c1ccccc1)CO3>>ClCCOc1cccc2c1c1cccc3c1n2C(c1ccccc1)CO3 | 75 |