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stringlengths 25
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int64 0
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|---|---|
CCOC(=O)c1ccc(N2CCNCC2)cc1.OC(CCCl)COc1ccccc1>>CCOC(=O)c1ccc(N2CCN(CCC(O)COc3ccccc3)CC2)cc1 | 138 |
CC(C)C(=O)OCOC(=O)Nc1cc(C[C@H]2C(=O)N(C(=O)N[C@H](C)c3ccc4c(c3)OC(F)(F)O4)[C@@H]2C(=O)O)ccn1.CCN=C=NCCCN(C)C.CCO.CCOC(C)=O.CN(C)c1ccncc1.Cl.ClCCl>>CCOC(=O)[C@@H]1[C@@H](Cc2ccnc(NC(=O)OCOC(=O)C(C)C)c2)C(=O)N1C(=O)N[C@H](C)c1ccc2c(c1)OC(F)(F)O2 | 47 |
CO.COC(=O)C[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1.O=C([O-])[O-].[K+].[K+]>>O=C(O)C[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 | 88 |
C1COCCO1.CC(=O)[O-].CC(C)n1cnc2cc(Br)ccc21.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.[K+]>>CC(C)n1cnc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 | 934 |
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.Cc1cc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(C[C@H](NC(=O)[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)CC2)C(=O)O)cc1.Cl~Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1>>Cc1cc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccc(C[C@H](NC(=O)[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)CC2)C(=O)Nc2ccc3[nH]c(C(F)(F)C(F)(F)F)nc3c2)cc1 | 365 |
CO.COC(=O)c1ccc2c(ccn2-c2ccc(C#N)c(F)c2)c1.O.O=C([O-])[O-].[K+].[K+]>>COC(=O)c1ccc2c(ccn2-c2ccc(C#N)c(OC)c2)c1 | 485 |
CCN=C=NCCCN(C)C.CN(C)C=O.Cl.NCCc1c[nH]c2ccccc12.O=C(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OCc1ccccc1.On1nnc2ccccc21>>O=C(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1c[nH]c2ccccc12)OCc1ccccc1 | 230 |
CO.COCCOc1ccc(CC=O)c(OCc2ccccc2)c1.Cl.O.[BH4-]~[Na+]>>COCCOc1ccc(CCO)c(OCc2ccccc2)c1 | 223 |
Brc1ccc2c(c1)OCO2.C1COCCO1.CC1(C)OB(c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)OC1(C)C.Cl[Pd]Cl~[Fe+2]~c1ccc(P(c2ccccc2)[c-]2cccc2)cc1~c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.O.O=C([O-])[O-]~[K+]~[K+]>>OC(COc1cccc(-c2ccc3c(c2)OCO3)c1)CN1CCc2ccccc2C1 | 933 |
CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(-c4cccc(N)c4)nc4ccccc34)ccc21.CCN(C(C)C)C(C)C.CN(C)CC(=O)O.ClCCl.F[P-](F)(F)(F)(F)F~c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1>>CN(C)CC(=O)Nc1cccc(-c2nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c3ccccc3n2)c1 | 365 |
BrB(Br)Br.COc1ccc(CCNc2ncnc3scnc23)c(F)c1.ClCCl.O=C([O-])O.[Na+]>>Oc1ccc(CCNc2ncnc3scnc23)c(F)c1 | 48 |
C1CCOC1.CCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1.Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc4cccc(N)c4c3)cc21>>Cc1ccc(S(=O)(=O)Nc2cccc3ccc(Oc4ccc5nc(COc6ccc(CC7SC(=O)NC7=O)cc6)n(C)c5c4)cc23)cc1 | 68 |
COc1ccc(-c2nn(C)c3nc(N)ncc23)c(OC)c1.O>>Cn1nc(-c2ccc(O)cc2O)c2cnc(N)nc21 | 20 |
COc1cccc(C2(O)CCC(N)CC2)c1.CS(=O)(=O)O.CSCC[C@H](N)C(=O)O.O=C([O-])[O-]~[Na+]~[Na+]>>NC1CCC(O)(c2cccc(O)c2)CC1 | 48 |
C1CCOC1.CN(C)C=O.Clc1ccnc2ccc(Br)cc12.[Cl-]~[NH4+].[Li]CCCC>>O=Cc1ccc2nccc(Cl)c2c1 | 638 |
CC(=O)O[BH-](OC(C)=O)OC(C)=O~[Na+].COC(=O)CCC=O.Cc1c(N2CCN(Cc3ccc(C(F)(F)F)o3)CC2)c(=O)n(C[C@H](N)c2ccccc2O)c(=O)n1Cc1c(F)cccc1C(F)(F)F.O=C([O-])O~[Na+]>>COC(=O)CCCN[C@@H](Cn1c(=O)c(N2CCN(Cc3ccc(C(F)(F)F)o3)CC2)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1O | 627 |
CCO.Cc1ccc(S(=O)(=O)O)cc1.NC(=O)c1nn(CCOC2CCCCO2)c2c1CCc1cnc(Nc3ccccc3OC(F)(F)F)nc1-2>>NC(=O)c1nn(CCO)c2c1CCc1cnc(Nc3ccccc3OC(F)(F)F)nc1-2 | 543 |
CI.CN(C)C=O.COC(=O)Cc1cc(O)cc(F)c1.O.O=C([O-])[O-]~[K+]~[K+]>>COC(=O)Cc1cc(F)cc(OC)c1 | 62 |
CC1(C)OB(c2cccc(O)c2)OC1(C)C.CN(C)C=O.ClCc1ccncc1.[H-]~[Na+]>>CC1(C)OB(c2cccc(OCc3ccncc3)c2)OC1(C)C | 49 |
C1CCOC1.COC(=O)Cc1cc2ccc(F)cc2c(-c2ccc(S(C)(=O)=O)cc2)c1C.Cl.O.O.[Li+].[OH-]>>Cc1c(CC(=O)O)cc2ccc(F)cc2c1-c1ccc(S(C)(=O)=O)cc1 | 88 |
CNC.O=C(O)c1cc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1>>CN(C)C(=O)c1cc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1 | 857 |
Cc1c(-c2ccccc2)nc2cc(Cl)ccc2c1C(=O)N[C@@H](C)C1CCCCC1.ClC(Cl)(Cl)Cl.O=C(OOC(=O)c1ccccc1)c1ccccc1.O=C1CCC(=O)N1Br>>C[C@H](NC(=O)c1c(CBr)c(-c2ccccc2)nc2cc(Cl)ccc12)C1CCCCC1 | 625 |
CCCC#N.CCCSc1nc(Cl)ccc1C(=O)N(C)C1CCOCC1.COC(=O)C[C@@H]1CCCNC1.Cl.ClCCl.O=C([O-])[O-]~[K+]~[K+]>>CCCSc1nc(N2CCC[C@@H](CC(=O)OC)C2)ccc1C(=O)N(C)C1CCOCC1 | 220 |
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(N3C(=O)OC[C@H]3CO)cc2)CC1.CI>>COC[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 | 140 |
BrC(Br)(Br)Br.C1CCOC1.CCOP(=O)(OCC)c1cc(CCC(=O)OC)ccc1CO.c1ccc(P(c2ccccc2)c2ccccc2)cc1>>CCOP(=O)(OCC)c1cc(CCC(=O)OC)ccc1CBr | 750 |
C1CCOC1~CO~O.Cc1ccc(S(=O)(=O)n2cc(-c3cnn(CCc4ccccc4)c3)c3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cnn(Cc4cccc(F)c4)c3)c3cc(-c4ccc(C5CCNCC5)cc4)cnc32)cc1~Cl.[Li+]~[OH-]>>CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4[nH]cc(-c5cnn(CCc6ccccc6)c5)c4c3)cc2)CC1 | 949 |
C1COCCN1.Cc1ccccc1.Nc1c2c(nc3ccccc13)CCCC2.O=Cc1c(Cl)cccc1Cl>>Clc1cccc(Cl)c1C=Nc1c2c(nc3ccccc13)CCCC2 | 329 |
CC(=O)O.CC(=O)O[BH-](OC(C)=O)OC(C)=O.CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(Cl)c(-c3cccc(C=O)c3)c2)n1.CN1CCNCC1.ClCCl.[Na+]>>CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(Cl)c(-c3cccc(CN4CCN(C)CC4)c3)c2)n1 | 567 |
CCOC(C)=O.CCn1cc(-c2cn[nH]c2)c2cc(OC)c(OC)cc2c1=O.CN(C)C=O.Fc1ccccc1CBr.O.[H-].[Na+]>>CCn1cc(-c2cnn(Cc3ccccc3F)c2)c2cc(OC)c(OC)cc2c1=O | 635 |
C#Cc1cccc(N)c1.CCN(CC)CC.CCOCC.FC(F)(F)Oc1cccc(Br)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1>>Nc1cccc(C#Cc2cccc(OC(F)(F)F)c2)c1 | 659 |
C1CCOC1.CCOC(=O)Cc1csc(-c2cc3cccc(N(C)S(=O)(=O)c4cccs4)c3[nH]2)n1.CO.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Na+]~[OH-]>>CN(c1cccc2cc(-c3nc(CC(=O)O)cs3)[nH]c12)S(=O)(=O)c1cccs1 | 7 |
CC1Cc2cc(CCCCl)ccc2NC1=O.O=C([O-])[O-].[Na+].[Na+].c1ccc2c(N3CCNCC3)noc2c1>>CC1Cc2cc(CCCN3CCN(c4noc5ccccc45)CC3)ccc2NC1=O | 138 |
CC(C)(C)c1cc(C(=O)O)cc(C(C)(C)C)c1O.CCCCCCCN(C)C(=O)Nc1ccc(F)cc1N.CCN=C=NCCCN(C)C~Cl.ClCCl>>CCCCCCCN(C)C(=O)Nc1ccc(F)cc1NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 | 50 |
CCN(CC)CC.C[C@H]1CN(c2nnc(Cl)c3ccccc23)CCN1.ClCCl.O=C(Cl)c1ccccc1.O=C([O-])O~[Na+]>>C[C@H]1CN(c2nnc(Cl)c3ccccc23)CCN1C(=O)c1ccccc1 | 201 |
Cc1cccc(C(=O)N2CCC[C@@H](C)[C@H]2CN)c1-n1nccn1.Fc1ccc(C(F)(F)F)cn1>>Cc1cccc(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ccc(C(F)(F)F)cn2)c1-n1nccn1 | 810 |
CCO.O=C(O)Cc1cnn(Cc2ccccc2)c1-c1ccccc1.O=C([O-])O.O=S(=O)(O)O.[Na+]>>CCOC(=O)Cc1cnn(Cc2ccccc2)c1-c1ccccc1 | 17 |
C1CCOC1.CCN.Cc1nc2c3c(c(C(=O)O)cc2n1C)CCC1(Cc2ccccc2C1)N3>>CCNC(=O)c1cc2c(nc(C)n2C)c2c1CCC1(Cc3ccccc3C1)N2 | 334 |
CCO.CCOC(C)=O.O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(F)c1.[Pd]>>Nc1ccn(CC(=O)Nc2cccc(F)c2)n1 | 684 |
CN(C)C=O.COC(=O)c1c[nH]c2cc(Br)ccc12.COCCBr.[H-]~[Na+]>>COCCn1cc(C(=O)OC)c2ccc(Br)cc21 | 470 |
Brc1c[nH]c2ncccc12.CN(C)C=O.O=S(=O)(Cl)c1ccccc1.[H-]~[Na+]>>O=S(=O)(c1ccccc1)n1cc(Br)c2cccnc21 | 354 |
CN(C)C=O.Fc1ccccc1CBr.O=C(c1cccnc1)c1c[nH]c2ccccc2c1=O.[H-].[Na+]>>O=C(c1cccnc1)c1cn(Cc2ccccc2F)c2ccccc2c1=O | 528 |
CCO.N.O=C(O)CCCCC(O)c1ccc(-c2ccc(Cl)cc2)cc1>>NC(=O)CCCCC(O)c1ccc(-c2ccc(Cl)cc2)cc1 | 313 |
CC(C)(C)OC(=O)N1CCn2c1cc(Cl)nc2=O.N#Cc1cc(CO)ccc1Oc1cccc(C(F)(F)F)c1.[H-]~[Na+]>>CC(C)(C)OC(=O)N1CCn2c1cc(OCc1ccc(Oc3cccc(C(F)(F)F)c3)c(C#N)c1)nc2=O | 653 |
CCOC(C)=O.O=[Mn]=O.OCc1ccc(NC2CCN(Cc3ccccc3)C2)nc1>>O=Cc1ccc(NC2CCN(Cc3ccccc3)C2)nc1 | 520 |
CCO.CCOC(=O)CCN1Cc2cccc(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)c2C1.[Na+]~[OH-]>>CC(C)Oc1ccc(-c2nc(-c3cccc4c3CN(CCC(=O)O)C4)no2)cc1Cl | 7 |
C=C1CC(NC(=O)OC(C)(C)C)C(C(=O)Nc2ccc(Cl)cc2)C1.ClCCl.O=C(O)C(F)(F)F>>C=C1CC(N)C(C(=O)Nc2ccc(Cl)cc2)C1 | 538 |
CO.COC(=O)C12CCC(C(=O)OC(C)(C)C)(CC1)CC2.[Na+]~[OH-]>>CC(C)(C)OC(=O)C12CCC(C(=O)O)(CC1)CC2 | 361 |
CCCc1cc(Oc2ccccc2)ccc1OCCCCBr.CN(C)C=O.COC(=O)Cc1ccc(O)c(Cl)c1.O=C([O-])[O-]~[Cs+]~[Cs+]>>CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc(CC(=O)OC)cc1Cl | 75 |
CC(=O)O.CCOC(=O)CC(=O)c1ccc2c(c1)OCCO2.Nc1[nH]ncc1-c1ccccc1>>O=c1cc(-c2ccc3c(c2)OCCO3)[nH]c2c(-c3ccccc3)cnn12 | 513 |
C1CCOC1.CCCOc1ccc(CCCOc2ccc3c(c2)C=C(C(=O)OC)CCS3(=O)=O)cc1.CO.Cl.O=C([O-])[O-].[K+].[K+]>>CCCOc1ccc(CCCOc2ccc3c(c2)C=C(C(=O)O)CCS3(=O)=O)cc1 | 58 |
C1CCOC1.CC(C)(C)[Si](C)(C)OCc1ccc(N2CCC[C@H]2C(F)(F)F)cc1.CCCC[N+](CCCC)(CCCC)CCCC~[F-].CCOC(C)=O.O>>OCc1ccc(N2CCC[C@H]2C(F)(F)F)cc1 | 708 |
CCOC(C)=O.Cc1ccc(S(=O)(=O)O)cc1~O.Cc1ccccc1.O=Cc1cc(Br)cc(Br)c1.OCCO>>Brc1cc(Br)cc(C2OCCO2)c1 | 117 |
CCN(CC)CC.CCOC(C)=O.ClCCCl.ClCCl.O=C(O)CNC(=O)c1cccc(C(F)(F)F)c1.On1nnc2ccccc21.[N-]=[N+]=N[C@H]1CCCC[C@H]1N1CC[C@@H](N)C1>>[N-]=[N+]=N[C@H]1CCCC[C@H]1N1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 230 |
CC(C)(C)OC(=O)N1CCC(Cc2ccc(C(=O)O)cc2C(F)(F)F)CC1.CCS(=O)(=O)c1ccc(Cl)cc1CN.Cl>>CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)(F)F)c1 | 753 |
CCCCOc1cc(/C=C(\C)C(=O)OCC)ccc1-c1cccc(CNCC(=O)c2ccccc2)c1.CCO.[Na+].[OH-]>>CCCCOc1cc(/C=C(\C)C(=O)O)ccc1-c1cccc(CNCC(=O)c2ccccc2)c1 | 122 |
CCN(CC)CC.CN1CCNCC1.ClCCl.O=S(=O)(Cl)CCCCl>>CN1CCN(S(=O)(=O)CCCCl)CC1 | 584 |
COc1ccc(CCN)cc1OC.ClCCl.O=C(Cl)C(=O)Cl.O=C(Cl)Cc1ccc(Br)cc1.O=C(O)Cc1ccc(Br)cc1.[Na+]~[OH-].c1ccccc1>>COc1ccc(CCNC(=O)Cc2ccc(Br)cc2)cc1OC | 230 |
C1CCOC1~CO.CC(C)(C)[Si](C)(C)OC1CN(C(=O)c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)C1.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[BH4-]~[Na+]>>CC(C)(C)[Si](C)(C)OC1CN(C(=O)c2cc3nccc(Oc4ccc(N)cc4F)c3s2)C1 | 335 |
CC(C)(C)OC(=O)n1cccc1-c1cccc(N)c1.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.O=C(O)c1cc2cccc(O)c2oc1=O>>CC(C)(C)OC(=O)n1cccc1-c1cccc(NC(=O)c2cc3cccc(O)c3oc2=O)c1 | 799 |
C1COCCO1.CC(=O)[O-]~[K+].CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1c(Br)cccc1N1Cc2cc(C(C)(C)C)sc2C1=O.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1~O=C(/C=C/c1ccccc1)/C=C/c1ccccc1~[Pd]>>Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1N1Cc2cc(C(C)(C)C)sc2C1=O | 942 |
C1CCOC1.CO.COC(=O)COc1ccccc1C1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1.Cl.O.[Li+].[OH-]>>CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1OCC(=O)O | 88 |
C1CCOC1.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.Cn1cc(C(=O)CC(c2ccc(C(=O)O)cc2)c2ccc(Cl)cc2F)ccc1=O.F[P-](F)(F)(F)(F)F.NCCO>>Cn1cc(C(=O)CC(c2ccc(C(=O)NCCO)cc2)c2ccc(Cl)cc2F)ccc1=O | 334 |
CN(C)c1ccncc1.CN1CCN(CCN(c2ccc3c(c2)C(=O)N(CC(=O)O)C3=O)S(C)(=O)=O)CC1~O=C(O)C(F)(F)F.ClCCCl.ClCCl.[O-][n+]1cc(Cl)c(C[C@H](O)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1>>CN1CCN(CCN(c2ccc3c(c2)C(=O)N(CC(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC4CC4)c2)C3=O)S(C)(=O)=O)CC1 | 17 |
CN1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1.CO.O=C[O-].[NH4+].[Pd]>>CN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1 | 269 |
CC(=O)[O-].CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CS(C)=O.Cl[Pd]Cl.O.O=C(N=S1(=O)CCN(c2ccc(Br)cc2)CC1)C(F)(F)F.[Fe+2].[K+].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1>>CC1(C)OB(c2ccc(N3CCS(=O)(=NC(=O)C(F)(F)F)CC3)cc2)OC1(C)C | 942 |
CC#N.Cc1cccc(-n2nnn(C)c2=O)c1CBr.O.O=C([O-])[O-]~[K+]~[K+].Oc1cccc(Br)c1>>Cc1cccc(-n2nnn(C)c2=O)c1COc1cccc(Br)c1 | 127 |
CC(C)=O.CI.O=C([O-])[O-].Oc1ccc2cccnc2c1Br.[K+].[K+]>>COc1ccc2cccnc2c1Br | 62 |
CCC(C)(C)c1ccccc1C(=O)O.CCN(C(C)C)C(C)C.CCOC(=O)C1(N)Cc2ccccc2C1.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.O>>CCOC(=O)C1(NC(=O)c2ccccc2C(C)(C)CC)Cc2ccccc2C1 | 709 |
CC(C)(C)n1ncc([N+](=O)[O-])c(N)c1=O.CO.[C]~[Pd]>>CC(C)(C)n1ncc(N)c(N)c1=O | 269 |
CC(C=O)COC(C)(C)C.CO>>CC(CO)COC(C)(C)C | 223 |
O=C(Cl)c1ccc(Cl)cc1.Oc1ccccc1.[Al+3].[Cl-].[Cl-].[Cl-]>>O=C(c1ccc(O)cc1)c1ccc(Cl)cc1 | 61 |
CN(C)C=O.COc1ccc(-c2cc(Cl)nc(C)n2)cc1OC.Cc1cc(C)c(O)c(C)c1.O.[H-]~[Na+]>>COc1ccc(-c2cc(Oc3c(C)cc(C)cc3C)nc(C)n2)cc1OC | 668 |
CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(P(=O)(OC)OC)CC4C)ccc3OCC)nn12.CCN(CC)CC.CO.COP(=O)(CN1CCNCC1)OC.ClCCl.O=C(O)C(F)(F)F>>CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CP(=O)(OC)OC)CC4)ccc3OCC)nn12 | 99 |
CC(=O)OC(C)=O.ClCCl.O.O=C(Nc1nc(C(O)CO)cs1)/C(=C/C1CCCC1)c1ccc(S(=O)(=O)C2CC2)cc1.c1ccncc1>>CC(=O)OCC(O)c1csc(NC(=O)/C(=C/C2CCCC2)c2ccc(S(=O)(=O)C3CC3)cc2)n1 | 254 |
CC(C)(C)c1nc2cc(S(=O)(=O)Cl)ccc2n1CC1CCOCC1.CCN(C(C)C)C(C)C.CN(C)C=O.Cl.O=C(O)CC1CNC1>>CC(C)(C)c1nc2cc(S(=O)(=O)N3CC(CC(=O)O)C3)ccc2n1CC1CCOCC1 | 99 |
CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)[O-].CCCCCC.Cc1ccccc1.Ic1ccc(-c2nc3ccccc3o2)cc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Na+].[Pd].c1ccc2c(c1)[nH]c1ccccc12>>c1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1 | 267 |
C1CCOC1.CC(C)NC(C)C.CN(C)C=O.N#Cc1ccc(F)cc1.[Li]CCCC>>N#Cc1ccc(F)c(C=O)c1 | 239 |
ClCCl.O=C(Cl)c1ccc(F)cc1.O=C([O-])O~[Na+].c1ccc(OCc2nc3c(o2)CNCC3)cc1>>O=C(c1ccc(F)cc1)N1CCc2nc(COc3ccccc3)oc2C1 | 201 |
CCOC(C)=O.COC(=O)c1ccc([N+](=O)[O-])cc1Cl.[Pd]>>COC(=O)c1ccc(N)cc1Cl | 772 |
CC(C)(C)[Si](C)(C)Cl.CN(C)C=O.COC(=O)c1cc(Cl)cc(CO)c1.c1c[nH]cn1>>COC(=O)c1cc(Cl)cc(CO[Si](C)(C)C(C)(C)C)c1 | 193 |
COc1cc(Br)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1.ClCCl.O=C(O)C(F)(F)F>>COc1cc(Br)ccc1OC1CCNCC1 | 575 |
CCO.CCOCC.COc1cc2cnnc(N3CCC(CC(C)OC(C)=O)CC3)c2cc1OC.[Na+]~[OH-]>>COc1cc2cnnc(N3CCC(CC(C)O)CC3)c2cc1OC | 325 |
CC(C)(C)OC(=O)Nc1ccc(CN2CC[C@H](F)C2)cn1.ClCCl.O=C(O)C(F)(F)F>>Nc1ccc(CN2CC[C@H](F)C2)cn1 | 885 |
C1COCCO1.CO.O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H]1CC[C@@H](O)CC1.[Pd]>>Nc1cc(C(F)(F)F)ccc1N[C@@H]1CC[C@@H](O)CC1 | 1 |
C1CNC1.CC(C)(C)OC(=O)N1CCN(C(=O)CCl)CC1.CN(C)C=O.O.O=C([O-])[O-]~[K+]~[K+]>>CC(C)(C)OC(=O)N1CCN(C(=O)CN2CCC2)CC1 | 340 |
CCCC[N+](CCCC)(CCCC)CCCC.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccccc1.Fc1ccc2[nH]ccc2c1.O.O=S(=O)([O-])O.[Na+].[OH-]>>Cc1ccc(S(=O)(=O)n2ccc3cc(F)ccc32)cc1 | 648 |
Cc1cc(F)ccc1-c1nc(NCCN)nc2c1ccc(=O)n2-c1c(F)cccc1F.O=C=Nc1ccccc1>>Cc1cc(F)ccc1-c1nc(NCCNC(=O)Nc2ccccc2)nc2c1ccc(=O)n2-c1c(F)cccc1F | 35 |
COCC1(N)CC1.COc1cc(-c2cnn(-c3ccc(C(=O)O)cn3)c2O)ccn1.Cl>>COCC1(NC(=O)c2ccc(-n3ncc(-c4ccnc(OC)c4)c3O)nc2)CC1 | 674 |
CC(C)(C)OC(=O)NCCCBr.N#Cc1ccc(Oc2cc(C(=O)NC3CCNCC3)cc(Oc3ccc(C#N)cc3)n2)cc1.O=C([O-])[O-].[K+].[K+]>>CC(C)(C)OC(=O)NCCCN1CCC(NC(=O)c2cc(Oc3ccc(C#N)cc3)nc(Oc3ccc(C#N)cc3)c2)CC1 | 73 |
C1CCOC1.CCOC(=O)CNC(=O)c1c(O)cc(-c2ccccc2)c2nccnc12.CO.[Na+]~[OH-]>>O=C(O)CNC(=O)c1c(O)cc(-c2ccccc2)c2nccnc12 | 7 |
C[C@H](c1ccccc1)N1CCC(CCO[Si](C)(C)C(C)(C)C)(Cc2ccc(F)cc2)C1=O.[F-]~[NH4+]>>C[C@H](c1ccccc1)N1CCC(CCO)(Cc2ccc(F)cc2)C1=O | 708 |
CCN(CC)CC.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.CN1CCC(N2CCNCC2)CC1.F[B-](F)(F)F.O=C(O)[C@@H](Cc1ccc(Br)c(Br)c1)OC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1>>CN1CCC(N2CCN(C(=O)[C@@H](Cc3ccc(Br)c(Br)c3)OC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)CC2)CC1 | 146 |
CN1CCNCC1.O=C(O)c1cn(-c2ccc(F)cc2)c2c(F)c(F)c(F)cc2c1=O.c1ccncc1>>CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4)c3c2F)CC1 | 676 |
CNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@H]12.CO.COC(=O)C1CC(=O)C1.[BH3-]C#N~[Na+]>>COC(=O)C1CC(N(C)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H]3OC(C)(C)O[C@H]23)C1 | 187 |
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1ncc[nH]1.CCCC[N+](CCCC)(CCCC)CCCC.CN(C)C=O.COc1ccccc1CBr.O=C([O-])[O-].[I-].[K+].[K+]>>COc1ccccc1Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C | 593 |
CCCC(C(=O)OCC)c1c(C)nc2c(-c3ccccc3)cnn2c1-c1ccc(C)cc1.CCO.[Na+]~[OH-]>>CCCC(C(=O)O)c1c(C)nc2c(-c3ccccc3)cnn2c1-c1ccc(C)cc1 | 7 |
CC(=O)C(CC=Cc1cccc(C)c1)c1ccccc1.CCO.O=Cc1ccc(Cl)cc1.[Na+].[OH-]>>Cc1cccc(C=CCC(C(=O)C=Cc2ccc(Cl)cc2)c2ccccc2)c1 | 295 |
C1CCOC1.CCO.CCOC(=O)CC1CCCc2cc(OCc3cccc(-c4c(C)cccc4C)c3)ccc21.Cl.O.[Na+]~[OH-]>>Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCC3CC(=O)O)c1 | 7 |
CC(C)O.CCOC(=O)COc1ccc(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)c(CC)c1.O.[Na+]~[OH-]>>CCc1cc(OCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 | 7 |
CC#N.CCCCBr.O=C([O-])[O-].OCC1CCCN1.[K+].[K+]>>CCCCN1CCCC1CO | 73 |