smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
COC1=CC2=C(SC(=C2)S(N)(=O)=O)C=C1>Cl.N1=CC=CC=C1>OC1=CC2=C(SC(=C2)S(N)(=O)=O)C=C1 | 3 |
[F:1][C:2]1[CH:3]=[C:4]([C:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH:14]=2)[CH:5]=[CH:6][C:7]=1[F:8]>[Pd].C(O)C>[F:1][C:2]1[CH:3]=[C:4]([CH:9]2[CH2:14][CH2:13][NH:12][CH2:11][CH2:10]2)[CH:5]=[CH:6][C:7]=1[F:8] | 2 |
[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O.[F-].[Ca+2:17].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[N+:22]([O-:25])([OH:24])=[O:23].O=P12OP3(OP(OP(O3)(O1)=O)(=O)O2)=O>>[N+:22]([O-:25])([O-:24])=[O:23].[Ca+2:17].[N+:22]([O-:25])([O-:24])=[O:23] | 1 |
[N:1]([C@@H:4]1[CH2:9][CH2:8][N:7]([C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH2:6][C@H:5]1[O:17][Si:18]([C:21]([CH3:24])([CH3:23])[CH3:22])([CH3:20])[CH3:19])=[N+]=[N-]>CO.[Pd]>[NH2:1][C@@H:4]1[CH2:9][CH2:8][N:7]([C:10]([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:11])[CH2:6][C@H:5]1[O:17][Si:18]([C:21]... | 2 |
BrCC(=O)OCC.BrC1=CC(=C(C(=C1)C)O)C>N(C)(C)C=O.C(C)(=O)[O-].[K+]>BrC1=CC(=C(OCC(=O)OCC)C(=C1)C)C | 3 |
C(Cl)(=O)C(Cl)=O.CS(C)=O.[CH:11]1([CH2:16][N:17]([CH2:30][CH:31]2[CH2:35][CH2:34][CH2:33][CH2:32]2)[C@@H:18]([CH2:28][OH:29])[CH2:19][CH2:20]/[CH:21]=[CH:22]/[C:23]([O:25][CH2:26][CH3:27])=[O:24])[CH2:15][CH2:14][CH2:13][CH2:12]1.C(N(C(C)C)CC)(C)C>C(Cl)Cl.O>[CH:31]1([CH2:30][N:17]([CH2:16][CH:11]2[CH2:12][CH2:13][CH2:1... | 2 |
C(C1=CC=CC=C1)Br.BrC1=NNC(=C1)OC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)N1N=C(C=C1Br)OC | 3 |
C(C1=CC=CC=C1)Cl.C1(CCCCC1)B(O)O>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>C1(=CC=CC=C1)C1=CC=C(C=C1)C | 3 |
ClC1=NN(C(C=C1)=O)C(C(=O)OCC)(C)C>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+]>ClC=1C(N(C(=CC1OCC1=NC=C(C=C1F)F)C)C1=CC(=NC=C1C)C1=NN(C(C=C1)=O)C(C(=O)OCC)(C)C)=O | 4 |
ClC1=CC=C2N=C(C=3N(C2=C1)CC(N3)=O)N3CC(C3)N(C(OC(C)(C)C)=O)C>ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>ClC1=CC=C2N=C(C=3N(C2=C1)CC(N3)=O)N3CC(C3)NC | 3 |
FC1=C(C=CC(=C1)OC)C(C)(C)O>O.Cl.COCCOC.[H-].[Al+3].[Li+].[H-].[H-].[H-].Cl[Ti](Cl)Cl>FC1=C(C=CC(=C1)OC)C(C)(C(C)(C)C1=C(C=C(C=C1)OC)F)C | 3 |
CC1=CC=C2C(CC(OC2=C1)=O)C1=CC=CC=C1>CO[H].[Na+].[BH4-]>OC1=C(C=C(C=C1)C)C(CCO)C1=CC=CC=C1 | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9](=[O:20])[C:10](=S(C)(C)=O)[C:11]([O:13][CH2:14][CH3:15])=[O:12])=[CH:4][CH:3]=1.[ClH:21]>C(Cl)(Cl)Cl>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9](=[O:20])[CH:10]([Cl:21])[C:11]([O:13][CH2:14][CH3:15])=[O:12])=[CH:4][CH:3]=1 | 1 |
BrC1=C(C=C(C=C1)OC)C(C=O)=O>C1CCCO1.CO[H].[Na+].[BH4-].C(CN)N>BrC1=C(C=C(C=C1)OC)C1NCCNC1 | 3 |
O[CH2:2][C@H:3]1[CH2:8][CH2:7][CH2:6][CH2:5][N:4]1[CH2:9][CH2:10][C:11]1[CH:16]=[CH:15][C:14]2[O:17][CH2:18][O:19][C:13]=2[CH:12]=1.C(N(CC)CC)C.CS([Cl:31])(=O)=O.C(=O)([O-])O.[Na+]>ClCCl>[Cl:31][C@@H:6]1[CH2:7][CH2:8][CH2:2][CH2:3][N:4]([CH2:9][CH2:10][C:11]2[CH:16]=[CH:15][C:14]3[O:17][CH2:18][O:19][C:13]=3[CH:12]=2)[... | 1 |
OC1CCNCC1.ClC1=CC=C(C=C1)C1=NN(C2=C1N=C(N=C2)N2[C@@H](CN(C[C@@H]2C)C(=O)OC)C)COCC[Si](C)(C)C>C1CCCO1.Cl.CC(C)(C)[O-].[Na+].C1(CCCCC1)P(C1=C(C=CC=C1)C1=C(C=CC=C1OC(C)C)OC(C)C)C1CCCCC1.CS(=O)(=O)O[Pd]c1ccccc1-c2ccccc2N.CC(C)Oc3cccc(OC(C)C)c3-c4ccccc4P(C5CCCCC5)C6CCCCC6>OC1CCN(CC1)C1=CC=C(C=C1)C1=NNC2=C1N=C(N=C2)N2[C@@H](... | 3 |
C(#CCCCC)C1=C(N)C=CC=C1>O.Cl.[N+](=O)([O-])[O-].[Na+]>C(CCC)C=1N=NC2=CC=CC=C2C1O | 3 |
C[C@@H](C(=O)O)NC(=O)OC(C)(C)C.Cl.C1(=CC=CC=C1)CN[C@@H](C)C(=O)OC>ClCCl.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>CC(C)(C)OC(=O)N[C@@H](C)C(=O)OC([C@@H](NCC1=CC=CC=C1)C)=O | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:17]3[C:12](=[CH:13][C:14]([S:18]([O:21]C4C(F)=C(F)C(F)=C(F)C=4F)(=O)=[O:19])=[CH:15][CH:16]=3)[N:11]=[CH:10][N:9]=2)=[C:4]([O:33][CH3:34])[CH:3]=1.[S:35]1[CH:39]=[N:38][N:37]=[C:36]1[NH2:40].ClC1C=C(C2C3C(=CC(S(OC4C(F)=C(F)C(F)=C(F)C=4F)(=O)=O)=CC=3)N=CN=2)C(OC)=CC=1C1C=CC=C(F)C=... | 1 |
[NH:1]1[CH2:9][CH2:8][CH:4]([C:5]([OH:7])=[O:6])[CH2:3][CH2:2]1.[Cl:10][C:11]1[CH:19]=[CH:18][C:14]([C:15](Cl)=[O:16])=[CH:13][CH:12]=1.Cl>[OH-].[Na+].ClCCl>[Cl:10][C:11]1[CH:19]=[CH:18][C:14]([C:15]([N:1]2[CH2:9][CH2:8][CH:4]([C:5]([OH:7])=[O:6])[CH2:3][CH2:2]2)=[O:16])=[CH:13][CH:12]=1 | 2 |
[NH:1]1[CH:5]=[C:4]([C:6]([OH:8])=O)[CH:3]=[N:2]1.Cl.[O:10]([CH2:17][CH2:18][C@@H:19]1[CH2:24][CH2:23][C@H:22]([CH2:25][NH2:26])[CH2:21][CH2:20]1)[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1>>[O:10]([CH2:17][CH2:18][C@@H:19]1[CH2:24][CH2:23][C@H:22]([CH2:25][NH:26][C:6]([C:4]2[CH:3]=[N:2][NH:1][CH:5]=2)=[O:8])[CH2:21... | 2 |
N1CCS(CC1)(=O)=O.ClC1=CC=C(C=C1)C1=CN=CC2=CC=C(C=C12)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC1=CC=C(C=C1)C1=CN=CC2=CC=C(C=C12)C(=O)N1CCS(CC1)(=O)=O | 3 |
[C:1]1([CH3:11])[CH:6]=[CH:5][C:4]([S:7](Cl)(=[O:9])=[O:8])=[CH:3][CH:2]=1.[Cl:12][C:13]1[C:14]2[CH:21]=[CH:20][NH:19][C:15]=2[N:16]=[CH:17][N:18]=1.[OH-].[Na+]>CC(C)=O>[Cl:12][C:13]1[C:14]2[CH:21]=[CH:20][N:19]([S:7]([C:4]3[CH:5]=[CH:6][C:1]([CH3:11])=[CH:2][CH:3]=3)(=[O:9])=[O:8])[C:15]=2[N:16]=[CH:17][N:18]=1 | 1 |
CN(CCN(C1=CC=CC(=N1)/C=C/C(=O)OCC)CC1=CC=C(C=C1)OC)C>CO[H].[OH-].[K+]>CN(CCN(C1=CC=CC(=N1)/C=C/C(=O)O)CC1=CC=C(C=C1)OC)C | 3 |
BrC(C(=O)OCC)(C(=O)OCC)C.OC1=NN(C=C1)C(=O)OC(C)(C)C>CC#N.C([O-])([O-])=O.[K+].[K+]>C(C)(C)(C)OC(=O)N1N=C(C=C1)OC(C(=O)OCC)(C(=O)OCC)C | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)NC1=CC=C(C=C1)OC(F)(F)F>>Cl.N1CCC(CC1)NC1=CC=C(C=C1)OC(F)(F)F | 5 |
O1C(=CC=C1)C=1OC(=C(N1)COC1=C(C=C(COC2=NN(C=C2C(C(=O)O)=C)C2=CC=CC=C2)C=C1)OC)C.ON=C(CCC)N>N(C)(C)C=O.Cl.C(C)N=C=NCCCN(C)C.CN1CCOCC1.O.ON1N=NC2=C1C=CC=C2>O1C(=CC=C1)C=1OC(=C(N1)COC1=C(C=C(COC2=NN(C=C2/C=C/C2=NC(=NO2)CCC)C2=CC=CC=C2)C=C1)OC)C | 3 |
I[CH2:2][CH3:3].[Cl:4][C:5]1[C:6]([OH:13])=[C:7]([CH:10]=[CH:11][CH:12]=1)[CH:8]=O.C([O-])([O-])=O.[K+].[K+].[CH3:20][N:21](C=O)C>>[Cl:4][C:5]1[C:6]([O:13][CH2:2][CH3:3])=[C:7]([CH:10]=[CH:11][CH:12]=1)[CH2:8][CH2:20][NH2:21] | 1 |
[N+](=O)([O-])CCC(=O)OC(C)(C)C.C(C(=O)O)(=O)O.FCCO>>FCC(C(CC(=O)OC(C)(C)C)[N+](=O)[O-])O | 5 |
BrCC1(COC1)CO.OC1=C(C=CC(=C1OC)OC)C1=C2CCC(C2=CC=C1)=O>>OCC1(COC1)COC1=C(C=CC(=C1OC)OC)C1=C2CCC(C2=CC=C1)=O | 5 |
NC1=CC=C(C=C1)C(O)C1=CC=NC2=CC(=CC=C12)OC.CC1=C(C(N(N1CCC)C1=CC=CC=C1)=O)C(=O)O>N(C)(C)C=O.ClCCl.C([O-])([O-])=O.[K+].[K+].F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>OC(C1=CC=C(C=C1)NC(=O)C=1C(N(N(C1C)CCC)C1=CC=CC=C1)=O)C1=CC=NC2=CC(=CC=C12)OC | 3 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C1=CC=C(C=C1)B(O)O.BrC=1C=C(C=2N(C1)N=CC2Cl)O[C@H](C)[C@@H]2CC(N(C2)[C@H](C)C2=CC=C(C=C2)OC)=O>>ClC=1C=NN2C1C(=CC(=C2)C2=CC=C(C=C2)N2CCN(CC2)C(=O)OC(C)(C)C)O[C@H](C)[C@H]2CN(C(C2)=O)[C@H](C)C2=CC=C(C=C2)OC | 5 |
BrC=1C(=C(C=CC1Cl)NC=C1C(OC(OC1=O)(C)C)=O)F>C1(=CC=CC=C1)OC1=CC=CC=C1>BrC1=C(C=C2C(C=CNC2=C1F)=O)Cl | 3 |
O([Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)CC1(COC(OC1)(C)C)CN1C(=NC(=C1)C=O)[N+](=O)[O-]>>O([Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)CC1(COC(OC1)(C)C)CN1C(=NC(=C1)CO)[N+](=O)[O-] | 5 |
[NH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH2:4][C@H:3]([OH:11])[CH2:2]1.Cl[C:13]([O:15][CH3:16])=[O:14].C([O-])([O-])=O.[K+].[K+]>[NH4+].[Cl-]>[OH:11][C@H:3]1[CH2:4][C:5]2[C:10](=[CH:9][CH:8]=[CH:7][CH:6]=2)[N:1]([C:13]([O:15][CH3:16])=[O:14])[CH2:2]1 | 1 |
C(C)C1CC=2N(C3=C(N2)C(=CC(=C3)C3=NC(=NC=C3F)NC3=CC=C(C=N3)N3CCN(CC3)C(=O)OC(C)(C)C)F)C1>ClCCl.C(=O)(C(F)(F)F)O>C(C)C1CC=2N(C3=C(N2)C(=CC(=C3)C3=NC(=NC=C3F)NC3=NC=C(C=C3)N3CCNCC3)F)C1 | 3 |
[CH2:1]([NH:4][CH2:5][CH:6]1[CH2:11][CH2:10][CH:9]([NH:12][C:13]2[S:14][C:15]3[CH2:22][CH2:21][O:20][C:19]4[CH:23]=[CH:24][CH:25]=[CH:26][C:18]=4[C:16]=3[N:17]=2)[CH2:8][CH2:7]1)[CH2:2][CH3:3].N1([CH:36]=[O:37])C2C=CC=CC=2N=N1.[OH-].[Na+]>C1COCC1>[N:17]1[C:16]2[C:18]3[CH:26]=[CH:25][CH:24]=[CH:23][C:19]=3[O:20][CH2:21]... | 1 |
C[O:2][C:3](=[O:25])[CH2:4][C:5]1[N:13]2[C:8]([CH:9]=[CH:10][CH:11]=[CH:12]2)=[C:7]([S:14]([C:17]2[CH:22]=[CH:21][C:20]([Cl:23])=[CH:19][CH:18]=2)(=[O:16])=[O:15])[C:6]=1[CH3:24].O1CCCC1.[OH-].[Li+].Cl>O>[Cl:23][C:20]1[CH:21]=[CH:22][C:17]([S:14]([C:7]2[C:6]([CH3:24])=[C:5]([CH2:4][C:3]([OH:25])=[O:2])[N:13]3[C:8]=2[CH... | 2 |
C(#N)C1=CC=CC(=N1)C1=NC=2N(C(=C1)C)N=CC2C(=O)NC(C(F)(F)F)C2CC2>O(O[H])[H].C([O-])([O-])=O.[K+].[K+].CS(=O)C>C(N)(=O)C1=CC=CC(=N1)C1=NC=2N(C(=C1)C)N=CC2C(=O)NC(C(F)(F)F)C2CC2 | 3 |
C1COCCN1.FC=1C(=NC(=NC1C1=C2C=NNC2=CC=C1C)S(=O)(=O)C)N1CC2(CN(C2)C(=O)OC(C)(C)C)CC1>C(C)(C)N(C(C)C)CC.CC(CC)O>FC=1C(=NC(=NC1C1=C2C=NNC2=CC=C1C)N1CCOCC1)N1CC2(CN(C2)C(=O)OC(C)(C)C)CC1 | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([OH:8])=[C:4]([CH3:9])[CH:3]=1.Cl[CH2:11][CH2:12][S:13](Cl)(=[O:15])=[O:14].[OH-].[Na+]>CC(C)=O.ClC(Cl)C.O>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][S:13]([CH:12]=[CH2:11])(=[O:15])=[O:14])=[C:4]([CH3:9])[CH:3]=1 | 1 |
NC1=NNC(=C1)C.FC1=C(C(=O)NC2=CC=C(C=C2)SC2=NC(=CC(=N2)Cl)Cl)C(=CC=C1)F>N(C)(C)C=O.[I-].[Na+].C(C)(C)N(C(C)C)CC>FC1=C(C(=O)NC2=CC=C(C=C2)SC2=NC(=CC(=N2)Cl)NC=2NN=C(C2)C)C(=CC=C1)F | 3 |
C(C)(C)OB1OC(C(O1)(C)C)(C)C.BrC=1C=NN(C1)C(C)(C)C>C1CCCO1.C(CCC)[Li].CCCCCC>CC(C)(C)N1N=CC(=C1)B1OC(C(O1)(C)C)(C)C | 3 |
C(C#C)OCCN.FC1=C(C=C(C(=C1)C)C1=CC2=C(N=C(N=C2)SC)N=C1C)NC(=O)NCCCCCC>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>FC1=C(C=C(C(=C1)C)C1=CC2=C(N=C(N=C2)S(=O)(=O)C)N=C1C)NC(=O)NCCCCCC | 3 |
N1CC2(C3=CC=CC=C13)CCC2.O=C1N(C=2C(=NC=CC2)N1)C1CCN(CC1)C1=CC(=NC=N1)C(=O)O>N(C)(C)C=O.CCN(CC)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.[B-](F)(F)(F)F>N1(CC2(C3=CC=CC=C13)CCC2)C(=O)C2=CC(=NC=N2)N2CCC(CC2)N2C(NC1=NC=CC=C12)=O | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:13]2[S:17][C:16]([CH:18]=[O:19])=[CH:15][CH:14]=2)[CH:6]=[C:7]([O:11][CH3:12])[C:8]=1[O:9][CH3:10].[BH4-].[Na+]>CO>[OH:19][CH2:18][C:16]1[S:17][C:13]([C:5]2[CH:6]=[C:7]([O:11][CH3:12])[C:8]([O:9][CH3:10])=[C:3]([O:2][CH3:1])[CH:4]=2)=[CH:14][CH:15]=1 | 1 |
ClC1=NC(=C(C(=C1C#N)C1=NNC=C1)C#N)SCC=1N=C(SC1)C1=CC=C(C=C1)Cl>>ClC1=CC=C(C=C1)C=1SC=C(N1)CSC1=NC(=C(C(=C1C#N)C1=NNC=C1)C#N)NCCO | 5 |
[Br-].C[Mg+].N1=CC=CC2=C1NC1=CC=C(C=C21)C=O>C1CCCO1>N1=CC=CC2=C1NC1=CC=C(C=C21)C(C)O | 3 |
BrCCOC1=CC=CC=C1.COC1=CC=C(C=C1)C=1C=CC(NC1)=O>>COC1=CC=C(C=C1)C=1C=CC(N(C1)CCOC1=CC=CC=C1)=O | 5 |
FC1=CC=C(C=C1)B(O)O.C(C1=CC=CC=C1)OC1=CC=C2C(=C([N+](=CC2=C1F)[O-])C(C)C)Br>O.ClCCl.CS(=O)C.C([O-])([O-])=O.[Na+].[Na+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>C(C1=CC=CC=C1)OC1=CC=C2C(=C([N+](=CC2=C1F)[O-])C(C)C)C1=CC=C(... | 3 |
C1(=CC=CC=C1)N=C=O.O(C1=CC=CC=C1)C1=C(C=C(N)C=C1)OC(C)C>ClCCl.CCN(CC)CC>O(C1=CC=CC=C1)C1=C(C=C(C=C1)NC(=O)NC1=CC=CC=C1)OC(C)C | 3 |
ICCC.OC1=C(C=C2CCCOC2=C1)C(C)=O>>C(CC)OC1=C(C=C2CCCOC2=C1)C(C)=O | 5 |
C(C)(C)(C)OC(=O)N1[C@H](C[C@H](CC1)OC1=NC(=CC=C1)NC(C1=C(C=C(C=C1)F)Cl)=O)C>Cl.O1CCOCC1>ClC1=C(C(=O)NC2=NC(=CC=C2)O[C@@H]2C[C@@H](NCC2)C)C=CC(=C1)F | 3 |
[NH:1]1[CH2:4][CH2:3][CH:2]1[CH2:5][N:6]1[C:10]2=[N:11][CH:12]=[N:13][C:14]([NH2:15])=[C:9]2[C:8]([C:16]2[CH:21]=[CH:20][C:19]([O:22][C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)=[CH:18][C:17]=2[F:29])=[N:7]1.[C:30]([CH2:32][C:33](O)=[O:34])#[N:31].C(P1(=O)OP(CCC)(=O)OP(CCC)(=O)O1)CC>C(Cl)Cl>[NH2:15][C:14]1[N:13]=[CH... | 1 |
C(=O)([O-])[O-].[K+].[K+].[NH:7]([C:14]1[C:19]([Br:20])=[CH:18][N:17]=[C:16]([NH:21][C:22]2[CH:27]=[CH:26][CH:25]=[C:24]([OH:28])[CH:23]=2)[N:15]=1)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.Cl[CH2:30][CH:31]1[CH2:36][CH2:35][CH2:34][N:33]([CH3:37])[CH2:32]1>CS(C)=O>[NH:7]([C:14]1[C:19]([Br:20])=[CH:18][N:17]=[C:16](... | 1 |
C(C)(C)(C)OC(=O)N1CCC(C(=O)OCC)CC1.CS(=O)(=O)OCC1=NC=C(C=C1Br)F>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+]>BrC=1C(=NC=C(C1)F)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OCC | 3 |
FC=1C(=CC(=C(C1)N)C)[N+](=O)[O-]>O.C(C)(=O)O.N(=O)[O-].[Na+]>FC1=C(C=C2C=NNC2=C1)[N+](=O)[O-] | 3 |
BrC=1C=C(C(=O)OC)C=CN1.C(C)(C)(C)OC(=O)N1C=NC=2C1=NC(=CC2)N2CCC(CC2)N(C)C>C(C)(C)[N-]C(C)C.[Li+]>CN(C1CCN(CC1)C1=CC=C2C(=N1)NC(=N2)C(=O)C2=CC(=NC=C2)Br)C | 3 |
C(OC(=O)[NH:7][CH2:8][CH2:9][C:10]1[O:14][N:13]=[C:12]([CH2:15][CH3:16])[N:11]=1)(C)(C)C.[ClH:18]>ClCCl>[ClH:18].[CH2:15]([C:12]1[N:11]=[C:10]([CH2:9][CH2:8][NH2:7])[O:14][N:13]=1)[CH3:16] | 1 |
[OH:1][C:2]1[C:7]([O:8][CH3:9])=[CH:6][C:5]([C:10]2[CH:15]=[CH:14][C:13]([OH:16])=[C:12]([C:17]3([CH3:23])[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]3)[CH:11]=2)=[CH:4][C:3]=1[CH2:24][CH:25]1[S:29][C:28](=S)[NH:27][C:26]1=[O:31].[NH:32]1[CH2:36][CH2:35][CH2:34][CH2:33]1>>[OH:1][C:2]1[C:7]([O:8][CH3:9])=[CH:6][C:5]([C:10]2... | 2 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([OH:8])=[CH:4][CH:3]=1.[CH3:9][C:10](OC1C=CC(Br)=CC=1)(C)[C:11]([O-])=[O:12].S(=O)(=O)(O)O>>[Br:1][C:2]1[CH:7]=[C:6]2[C:5](=[CH:4][CH:3]=1)[O:8][CH2:9][CH2:10][C:11]2=[O:12] | 1 |
ClC(=O)OC1=CC=CC=C1.O1N=CC(=C1)N>C1CCCO1.c1ccncc1>O1N=CC(=C1)NC(OC1=CC=CC=C1)=O | 3 |
COC(=O)C1=NC=CC=C1C(=O)OC.BrC1=C(C=CC(=C1)CBr)F>C1CCCO1.C(C)OCC.[Mg].II>BrC=1C=C(C=CC1F)CC(=O)C1=C(C(=O)OC)C=CC=N1 | 3 |
FC1=CC=C(OCCC(CO)CCC2OC2)C=C1>>FC1=CC=C(OCCC2CCC(OC2)CO)C=C1 | 5 |
[CH3:1][N:2]([CH:4](OC)OC)[CH3:3].[CH3:9][C:10]1[N:15]=[C:14]([C:16]#[C:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[C:13]([NH2:24])=[CH:12][CH:11]=1>C1(C)C=CC=CC=1>[CH3:1][N:2]([CH3:3])[CH:4]=[N:24][C:13]1[C:14]([C:16]#[C:17][C:18]2[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=2)=[N:15][C:10]([CH3:9])=[CH:11][CH:12]=1 | 1 |
[N:1]1[CH:6]=[CH:5][C:4]([C:7]2[CH:8]=[N:9][C:10]3[C:15]([CH:16]=2)=[CH:14][CH:13]=[CH:12][CH:11]=3)=[CH:3][CH:2]=1>C(O)C.[Pt]=O>[N:1]1[CH:6]=[CH:5][C:4]([CH:7]2[CH2:16][C:15]3[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=3)[NH:9][CH2:8]2)=[CH:3][CH:2]=1 | 1 |
CC(CC(C)=O)=O>>OC1=NC(=CC(=N1)C)C | 5 |
BrC=1C(=C(C#N)C(=CC1)F)F>O.O(C(C)(C)C)C.O1CCOCC1.N.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.CCCCCC.CCCC(C)C.CCC(C)CC.C(C)(=S)[O-].[K+]>FC1=C(C#N)C(=CC=C1S)F | 3 |
Cl.CON.FC=1C=C(CN2C3=CC=C(C=C3C=3C[C@@H](CCC23)NC(C(C)C)=O)C=O)C=CC1>>FC=1C=C(CN2C3=CC=C(C=C3C=3C[C@@H](CCC23)NC(C(C)C)=O)C=NOC)C=CC1 | 5 |
Cl.ClCCN(C)C.ClC1=C(C=CC=C1)N1N=C(C=C1C=1SC(=CC1)C1=CC(=CC=C1)S(=O)(=O)C)C(C)=NO>>CN(CCON=C(C)C1=NN(C(=C1)C=1SC(=CC1)C1=CC(=CC=C1)S(=O)(=O)C)C1=C(C=CC=C1)Cl)C | 5 |
[C:1]1([N:7]2[C:25](=[O:26])[C:10]3=[CH:11][NH:12][C:13]4[CH:14]=[CH:15][C:16](N5CCNCC5)=[N:17][C:18]=4[C:9]3=[N:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:27][CH:28]1[O:33][CH:32]([CH3:34])[CH2:31][NH:30][CH2:29]1>>[CH3:34][CH:32]1[O:33][CH:28]([CH3:27])[CH2:29][N:30]([C:16]2[CH:15]=[CH:14][C:13]3[NH:12][CH:11]=[C:10... | 1 |
COC1=CC(=C(C=C1)N=C=O)C.BrCC(C(C(F)(F)F)(F)F)=O>>COC1=CC(=C(C=C1)NC(=O)NC=1SC=C(N1)C(C(F)(F)F)(F)F)C | 5 |
OCCN1CCCC1.CC=1NC2=CC=C(C=C2C1C)OC1=NC=NC2=CC(=C(C=C12)OC)O>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.N(=NC(=O)OC(C)C)C(=O)OC(C)C>CC=1NC2=CC=C(C=C2C1C)OC1=NC=NC2=CC(=C(C=C12)OC)OCCN1CCCC1 | 3 |
COC(C(=O)OC)=O.FC1=CC=C(CN(C(C)=O)C)C=C1>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>COC(C(=CC(N(C)CC1=CC=C(C=C1)F)=O)O)=O | 3 |
CC(C)([O-])C.[K+].Cl.Br[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][N:10]=1.[C:15]([N:22]1[CH2:28][CH2:27][CH2:26][NH:25][CH2:24][CH2:23]1)([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16]>O1CCOCC1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd].... | 2 |
C(C)(=O)OC(C)=O.C(C)N1C[C@H](CC1)C(C(=O)O)(C1=CC=CC=C1)C1=CC=CC=C1>>C(C)N1C(C(C(C1)CCI)(C1=CC=CC=C1)C1=CC=CC=C1)=O | 5 |
[CH2:1]([C:5]1[CH:10]=[CH:9][C:8]([C:11]2[O:15][N:14]=[C:13]([C:16]3[N:21]=[CH:20][C:19](C=O)=[CH:18][N:17]=3)[N:12]=2)=[CH:7][CH:6]=1)[CH:2]([CH3:4])[CH3:3].C(C1C=CC(C2ON=C(C3N=CC([CH2:45][NH:46][CH:47]4[CH2:50][CH:49]([C:51]([OH:53])=[O:52])[CH2:48]4)=NC=3)N=2)=CC=1)C(C)C>>[CH2:1]([C:5]1[CH:6]=[CH:7][C:8]([C:11]2[O:1... | 1 |
C(C1=CC=CC=C1)N1CC(C(CC1)N1C(=O)C=CC2=CC=CC=C12)C>[Pd].C(C)(=O)O>CC1CNCCC1N1C(=O)CCC2=CC=CC=C12 | 3 |
NC1=NC=C(C=N1)B1OC(C(O1)(C)C)(C)C.ClC=1C2=C(N=C(N1)N1[C@H](COCC1)C)N(CC2)C2CN(C2)C(=O)OC(C)(C)C>O.O1CCOCC1.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2].[F-].[Cs+]>NC1=NC=C(C=N1)C=1C2=C(N=C(N1)N1[C@H](COCC1)C)N(CC2)C2CN(C2)C(=O)OC(C)(C)C | 3 |
BrC=1C=C(CO)C=CC1.BrC1=C(C(=CC(=C1)C=1N=NC(=CC1)Cl)Br)O>C1CCCO1.CC(C)(C)[O-].[Na+]>BrC1=C(C(=CC(=C1)C=1N=NC(=CC1)OCC1=CC(=CC=C1)Br)Br)O | 3 |
[CH3:1][O:2][CH2:3]Cl.[Br:5][C:6]1[C:11]([NH:12][S:13]([C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([C:22]([F:25])([F:24])[F:23])[CH:17]=2)(=[O:15])=[O:14])=[CH:10][C:9]([Cl:26])=[CH:8][N:7]=1.C(=O)([O-])[O-].[K+].[K+]>C1COCC1>[Br:5][C:6]1[C:11]([N:12]([CH2:3][O:2][CH3:1])[S:13]([C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([C:22]([F:2... | 1 |
C(#N)C1=CC(=C(NC1=O)C)C(=O)OCC1=CC=CC=C1>>ClC1=NC(=C(C(=O)O)C=C1C#N)C | 5 |
C(C)(C)(C)OC(=O)N1CCC(=CC1)/C(=C/C=C/C(=O)OCC)/C1=CC=C(C=C1)C(F)(F)F>Cl>N1CCC(=CC1)/C(=C/C=C/C(=O)OCC)/C1=CC=C(C=C1)C(F)(F)F | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]([CH:12]2[CH2:17][CH2:16][N:15]([CH:18]3[CH2:23][CH2:22][C:21](=O)[CH2:20][CH2:19]3)[CH2:14][CH2:13]2)[C:9](=[O:11])[CH3:10])=[CH:4][CH:3]=1.[CH2:25]([O:27][NH2:28])[CH3:26].C([O-])(O)=O.[Na+]>N1C=CC=CC=1>[CH2:25]([O:27][N:28]=[C:21]1[CH2:22][CH2:23][CH:18]([N:15]2[CH2:14][CH2:13][CH:... | 1 |
[Cl:1][C:2]1[C:3]([C:9]2[N:14]=[C:13]([NH:15][CH2:16][CH:17]3[CH2:22][CH2:21][O:20][CH2:19][CH2:18]3)[CH:12]=[N:11][CH:10]=2)=[CH:4][C:5](F)=[N:6][CH:7]=1.[OH-].[NH4+:24]>CS(C)=O.CCOC(C)=O>[NH2:24][C:5]1[CH:4]=[C:3]([C:9]2[N:14]=[C:13]([NH:15][CH2:16][CH:17]3[CH2:22][CH2:21][O:20][CH2:19][CH2:18]3)[CH:12]=[N:11][CH:10]... | 2 |
C1(=CC(=CC(=C1)C)C)C.BrC1=CC(=C(C=C1)OCC(=C)C)Cl>C(C)N(C1=CC=CC=C1)CC>BrC1=CC(=C(C(=C1)CC(=C)C)O)Cl | 3 |
[F:1][C:2]1([F:24])[CH2:7][CH2:6][CH:5]([CH2:8][NH:9][C:10]([C:12]2[C:13]3[CH:14]=[CH:15][C:16](Cl)=[N:17][C:18]=3[CH:19]=[CH:20][C:21]=2[Cl:22])=[O:11])[CH2:4][CH2:3]1.CCN(C(C)C)C(C)C.[NH:34]1[CH2:38][CH2:37][C@@H:36]([CH2:39][OH:40])[CH2:35]1>>[F:1][C:2]1([F:24])[CH2:7][CH2:6][CH:5]([CH2:8][NH:9][C:10]([C:12]2[C:13]3... | 1 |
[Br-].C(#N)C[S+]1CCCC1.ClC(=O)C1=C(C=2N(C=C1C)N=C(C2)C(=O)OC)OS(=O)(=O)C(F)(F)F>>COC(C(=O)C1=C(C=2N(C=C1C)N=C(C2)C(=O)OC)OS(=O)(=O)C(F)(F)F)=O | 5 |
[N+](=O)([O-])C1=C(C=CC(=C1)N)N.C12(CC3CC(CC(C1)C3)C2)CC(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C12(CC3CC(CC(C1)C3)C2)CC(=O)NC2=CC(=C(C=C2)N)[N+](=O)[O-] | 3 |
C(C)(C)(C)OC(N[C@@](CCC1=CC(=C(C=C1)O)N)(C)CO)=O.Cl.C(C)OC(CCCCC)=N>ClCCl>C(C)(C)(C)OC(N[C@@](CCC=1C=CC2=C(N=C(O2)CCCCC)C1)(C)CO)=O | 3 |
[CH3:1][Si](C)(C)[N-][Si](C)(C)C.[Na+].[C:11]([O:15][C:16]([N:18]1[CH2:22][C:21](=O)[CH2:20][C@H:19]1[CH2:24][O:25][C:26](=[O:36])[C:27]1[CH:32]=[CH:31][C:30]([N+:33]([O-:35])=[O:34])=[CH:29][CH:28]=1)=[O:17])([CH3:14])([CH3:13])[CH3:12].O>[Br-].C[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.C1(C)C=CC=CC=1>[C:11]([O:15][C:... | 1 |
FC1=CC=C(C(=C1)C1=CC=CC=C1)N=C=S>CCO[H].N>FC=1C=CC(=C(C1)C1=CC=CC=C1)NC(=S)N | 3 |
NC1=NC=C(N=C1)Br.CC1(OB(OC1(C)C)C(=C)C)C>C([O-])([O-])=O.[K+].[K+].O1CCOCC1.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>C=C(C)C=1N=CC(=NC1)N | 3 |
NC=1SC=CN1.FC=1C=C(C=CC1F)NC(=O)C1=CC(=CN1C)C(C(=O)O)=O>N(C)(C)C=O.ClCCl.C(=O)(C=1NC=CN1)C=1NC=CN1>FC=1C=C(C=CC1F)NC(=O)C=1N(C=C(C1)C(C(NC=1SC=CN1)=O)=O)C | 3 |
C(C)N=C=O.C1(=CC=CC=C1)C1CCC(CC1)OC[C@@H]1NCCC[C@@H]1NS(=O)(=O)C>O.C1CCCO1.CCN(CC)CC>C(C)NC(=O)N1[C@H]([C@H](CCC1)NS(=O)(=O)C)CO[C@@H]1CC[C@@H](CC1)C1=CC=CC=C1 | 3 |
[CH:1]([NH:5][C:6]1[S:7][C:8]2[C:13]([N:14]=1)=[CH:12][CH:11]=[C:10]([CH:15]=[O:16])[N:9]=2)([CH2:3][CH3:4])[CH3:2].[F:17][C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=1[CH:24]([N+:35]#[C-:36])S(C1C=CC(C)=CC=1)(=O)=O.C([O-])([O-])=O.[K+].[K+]>CCO>[CH:1]([NH:5][C:6]1[S:7][C:8]2[C:13]([N:14]=1)=[CH:12][CH:11]=[C:10]([C:15]... | 1 |
NC1=CC=CC=C1.ClC=1C(=C2C(=NC1)NC(=N2)C2=CC=C(C=C2)[N+](=O)[O-])Cl>O.C1(=CC=C(C=C1)S(=O)(=O)O)C.ClC1=C(C=CC=C1)Cl>ClC=1C(=C2C(=NC1)NC(=N2)C2=CC=C(C=C2)[N+](=O)[O-])NC2=CC=CC=C2 | 3 |
[CH2:1]([O:4][CH2:5][CH2:6][OH:7])[CH:2]=[CH2:3].[CH3:8][N:9]([CH3:25])[N:10]1[C:19]2[C:14](=[CH:15][C:16](I)=[CH:17][CH:18]=2)[C:13](=[O:21])[C:12]([C:22]([OH:24])=[O:23])=[CH:11]1.CCN(CC)CC>CN(C=O)C.CC([O-])=O.CC([O-])=O.[Pd+2]>[CH3:8][N:9]([CH3:25])[N:10]1[C:19]2[C:14](=[CH:15][C:16]([CH:3]=[CH:2][CH2:1][O:4][CH2:5]... | 2 |
[CH2:1]([O:8][C:9]1[CH:10]=[C:11]([CH:16]=[C:17]([OH:19])[CH:18]=1)[C:12]([O:14][CH3:15])=[O:13])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[CH3:39][O:40][CH2:41][C@H:42](O)[CH3:43].N(C(OC(C)C)=O)=NC(OC(C)C)=O>C1COCC1>[CH2:1]([O:8][C:9]1[CH:10]=[C:11]([CH:16]=[C:17]([O:19][C@@H:42](... | 2 |
C1CCCCC1.FC(C(CC(C)(C)C1=C(C=CC(=C1)F)OC)=O)(F)F.C[S@@](=O)C1=CC=C(C=C1)C>>FC([C@](CC(C)(C)C1=C(C=CC(=C1)F)OC)(O)C[S@@](=O)C1=CC=C(C=C1)C)(F)F.FC([C@@](CC(C)(C)C1=C(C=CC(=C1)F)OC)(O)C[S@@](=O)C1=CC=C(C=C1)C)(F)F | 5 |
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