smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[C:1]([C:4]1[NH:8][C:7]2[C:9]([Cl:13])=[C:10]([Cl:12])[S:11][C:6]=2[CH:5]=1)([OH:3])=O.[NH2:14][C@@H:15]1[CH2:23][C:22]2[C:17](=[CH:18][CH:19]=[CH:20][CH:21]=2)[C@H:16]1[NH:24][C:25]([O:27][C:28]([CH3:31])([CH3:30])[CH3:29])=[O:26].CCN(C(C)C)C(C)C.C1C=CC2N(O)N=NC=2C=1.CCN=C=NCCCN(C)C>ClCCl>[Cl:12][C:10]1[S:11][C:6]2[CH... | 2 |
C1(C=2C(C(N1)=O)=CC=CC2)=O.FC1=C(OC=2C(=C(C(=CC2)[N+](=O)[O-])N2C[C@@H]3N(CC2)CC[C@@H]3O)C(F)(F)F)C=CC=C1>O.C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>FC1=C(OC=2C(=C(C(=CC2)[N+](=O)[O-])N2C[C@@H]3N(CC2)CC[C@H]3N3C(C2=CC=CC=C2C3=O)=O)C(F)(F)F)C=CC=C1 | 3 |
F[C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][C:3]=1[C:11]([F:14])([F:13])[F:12].C[O-].[Na+].O.[C:19](OCC)(=[O:21])C>O1CCCC1>[CH3:19][O:21][C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][C:3]=1[C:11]([F:14])([F:13])[F:12] | 1 |
COC1=C(C=CC(=C1)OC)CNC1=NN=C(C2=CC(=CC=C12)B(O)O)C.BrC1=C(C=C(C(=C1)Cl)C1CC1)OC>C([O-])([O-])=O.[Na+].[Na+].COCCOC.[Pd](Cl)Cl.C(C)(C)(C)P([C-]1C=CC=C1)C(C)(C)C.[C-]1(C=CC=C1)P(C(C)(C)C)C(C)(C)C.[Fe+2]>ClC=1C(=CC(=C(C1)C=1C=C2C(=NN=C(C2=CC1)NCC1=C(C=C(C=C1)OC)OC)C)OC)C1CC1 | 3 |
C([C@@H:4]([C@@H:20]([OH:29])/[CH:21]=[CH:22]/[C:23]1C=CC=CC=1)[C:5]([N:7]1[C@H:11]([CH2:12][C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[CH2:10]O[C:8]1=[O:19])=[O:6])C=C.[C:30]1(C)C=CC=CC=1>Cl[Ru](=C1N(C2C(C)=CC(C)=CC=2C)CCN1C1C(C)=CC(C)=CC=1C)(Cl)(=CC1C=CC=CC=1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1>[CH2:12]([C@H:11]1[N:7... | 1 |
[F:1][C:2]([F:23])([F:22])[C:3]1[CH:4]=[C:5]([S:9]([N:12]2[C:20]3[C:15](=[N:16][CH:17]=[C:18]([NH2:21])[CH:19]=3)[CH:14]=[N:13]2)(=[O:11])=[O:10])[CH:6]=[CH:7][CH:8]=1.C(N(CC)CC)C.[Cl:31][C:32]1[CH:40]=[CH:39][CH:38]=[C:37]([F:41])[C:33]=1[C:34](Cl)=[O:35]>C1COCC1>[Cl:31][C:32]1[CH:40]=[CH:39][CH:38]=[C:37]([F:41])[C:3... | 2 |
CS(=O)(=O)OC(COCC1=CC=CC=C1)CCCO>>CS(=O)(=O)OC(COCC1=CC=CC=C1)CCC=O | 5 |
BrC1=CC=C(C(=O)O)C=C1.C(CC)N(C[C@@H](C)N)CCC>>BrC1=CC=C(C(=O)N[C@@H](CN(CCC)CCC)C)C=C1 | 5 |
Cl.[NH:2]1[CH2:7][CH2:6][CH:5]([NH:8][C:9]([C:11]2[C:15]3[N:16]=[CH:17][N:18]=[C:19]([C:20]4[CH:25]=[C:24]([F:26])[CH:23]=[CH:22][C:21]=4[O:27][CH2:28][CH:29]4[CH2:31][CH2:30]4)[C:14]=3[NH:13][C:12]=2[CH3:32])=[O:10])[CH2:4][CH2:3]1.[C:33](Cl)(=[O:36])[CH2:34][CH3:35]>>[CH:29]1([CH2:28][O:27][C:21]2[CH:22]=[CH:23][C:24... | 1 |
F[C:2]1[CH:7]=[CH:6][C:5]([F:8])=[CH:4][C:3]=1[C:9](=[O:11])[CH3:10].C(=O)([O-])[O-].[K+].[K+].[NH:18]1[CH:22]=[CH:21][N:20]=[N:19]1>CN1CCCC1=O>[F:8][C:5]1[CH:6]=[CH:7][C:2]([N:19]2[N:20]=[CH:21][CH:22]=[N:18]2)=[C:3]([C:9](=[O:11])[CH3:10])[CH:4]=1 | 1 |
C(C)(C)C1=NN(C(C2=CC=C(C=C12)C=C)=O)CC(=O)OC>ClCCl.CSC.O=[O+][O-]>C(=O)C=1C=C2C(=NN(C(C2=CC1)=O)CC(=O)OC)C(C)C | 3 |
C(C)(C)(C)OC(=O)N[C@@H](CCC(N(C)CC(=O)NCC)=O)C(=O)OC>Cl.O1CCOCC1>Cl.CN(C(CC[C@H](N)C(=O)OC)=O)CC(C)C1=CC=CC=C1 | 3 |
C1COCCN1.S(=O)(=O)(N)N>>N1(CCOCC1)S(=O)(=O)N | 5 |
[Cl:1][C:2]1[CH:28]=[CH:27][C:5]([C:6]([C:8]2[CH:9]=[CH:10][C:11]3[NH:17][C:16](=O)[CH2:15][N:14]=[C:13]([C:19]4[CH:24]=[CH:23][CH:22]=[C:21]([Cl:25])[CH:20]=4)[C:12]=3[CH:26]=2)=[O:7])=[CH:4][CH:3]=1.P12(SP3(SP(SP(S3)(S1)=S)(=S)S2)=S)=[S:30].C(Cl)Cl>C1COCC1>[Cl:1][C:2]1[CH:28]=[CH:27][C:5]([C:6]([C:8]2[CH:9]=[CH:10][C... | 1 |
[NH2:1][C:2]1[CH:7]=[C:6]([O:8][C:9]2[C:14]([F:15])=[CH:13][C:12]([NH:16][C:17](=[O:24])[CH2:18][C:19]([O:21]CC)=[O:20])=[C:11]([F:25])[CH:10]=2)[CH:5]=[CH:4][N:3]=1.FC1C=C(NC(=O)CC(NC2C=CC(F)=CC=2)=O)C=CC=1OC1C=CN=C(NCCN2CCOCC2)C=1>>[NH2:1][C:2]1[CH:7]=[C:6]([O:8][C:9]2[C:14]([F:15])=[CH:13][C:12]([NH:16][C:17](=[O:24... | 2 |
ClC=1C=CC(=C(C1)C1=NNC=C1NC(=O)C=1C=NN2C1N=CC=C2)OC(F)F.CN(C1CCN(CC1)C(=O)C1=CC=C(C=C1)I)C>[Cu]I.C([O-])([O-])=O.[K+].[K+].CN[C@H]1[C@@H](CCCC1)NC>Cl.ClC=1C=CC(=C(C1)C1=NN(C=C1NC(=O)C=1C=NN2C1N=CC=C2)C2=CC=C(C=C2)C(=O)N2CCC(CC2)N(C)C)OC(F)F | 3 |
[CH3:1][O:2][C:3]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[C:6]([S:13]([N:16]([CH3:18])[CH3:17])(=[O:15])=[O:14])=[CH:5][C:4]=1[C:19]([O:21]C)=[O:20].[OH-].[Na+]>C(O)C>[CH3:1][O:2][C:3]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[C:6]([S:13]([N:16]([CH3:17])[CH3:18])(=[O:15])=[O:14])=[CH:5][C:4]=1[C:19]([OH:21])=[... | 1 |
CC1=C(C=CC(=C1)F)B(O)O.COC(=O)C=1C=NC(=CC1)Br>>FC1=CC(=C(C=C1)C1=CC=C(C=N1)C(=O)O)C | 5 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([CH3:12])[C:9]([O-:11])=[O:10])=[CH:4][C:3]=1[F:13].[CH3:14][S:15](Cl)(=[O:17])=[O:16].N1C=CC=[CH:21][CH:20]=1>>[F:13][C:3]1[CH:4]=[C:5]([CH:8]([CH3:12])[C:9]([O:11][CH2:20][CH3:21])=[O:10])[CH:6]=[CH:7][C:2]=1[NH:1][S:15]([CH3:14])(=[O:17])=[O:16] | 1 |
[CH:1]([C:3]1[CH:4]=[CH:5][C:6]2[C:7]([CH:11]=1)=NON=2)=O.[C:12]([O:18][CH3:19])(=[O:17])[CH2:13][C:14]([CH3:16])=[O:15].N1CCCCC1.[C:26]([OH:29])(=O)[CH3:27]>C1C=CC=CC=1>[O:29]1[C:26]2[CH:27]=[CH:1][C:3]([CH:11]=[C:13]([C:14](=[O:15])[CH3:16])[C:12]([O:18][CH3:19])=[O:17])=[CH:4][C:5]=2[CH:6]=[CH:7]1 | 1 |
BrC1=CC=2N=CN=C(C2S1)Cl.CC1(OB(OC1(C)C)C=1C=NN(C1)CCN1CCOCC1)C>CC#N.C([O-])([O-])=O.[K+].[K+].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]>ClC=1C2=C(N=CN1)C=C(S2)C=2C=NN(C2)CCN2CCOCC2 | 3 |
C[N:2]1[C:6]2[CH:7]=[C:8](C#N)[CH:9]=[CH:10][C:5]=2[N:4]=[C:3]1[NH:13]CCN1CCOCC1.ClC1N(C)C2C=C(C#N)C=CC=2N=1.NCCN1CCOCC1>CCO>[NH2:13][C:3]1[NH:2][C:6]2[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=2[N:4]=1 | 2 |
Br[C:2]1[CH:16]=[CH:15][C:5]([CH2:6][NH:7][C:8](=[O:14])[O:9][C:10]([CH3:13])([CH3:12])[CH3:11])=[CH:4][CH:3]=1.Br[C:18]1[C:19]2[C:20]3[CH:33]=[CH:32][S:31][C:21]=3[C:22](=[O:30])[NH:23][C:24]=2[CH:25]=[CH:26][C:27]=1[O:28][CH3:29]>>[CH3:29][O:28][C:27]1[CH:26]=[CH:25][C:24]2[NH:23][C:22](=[O:30])[C:21]3[S:31][CH:32]=[... | 1 |
[O:1]=[C:2]1[CH2:7][CH2:6][N:5]([C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[CH2:4][CH2:3]1.[Li+].C[Si]([N-][Si](C)(C)C)(C)C.[CH:25]1([C:30](Cl)=[O:31])[CH2:29][CH:28]=[CH:27][CH2:26]1>C1COCC1>[CH:25]1([C:30]([CH:7]2[C:2](=[O:1])[CH2:3][CH2:4][N:5]([C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[CH2:6]... | 2 |
[OH:1][NH:2][C:3](=[O:9])[O:4][C:5]([CH3:8])([CH3:7])[CH3:6].[H-].[Na+].Br[CH2:13][CH2:14][O:15][CH3:16].O>CN(C)C=O>[CH3:16][O:15][CH2:14][CH2:13][O:1][NH:2][C:3](=[O:9])[O:4][C:5]([CH3:8])([CH3:7])[CH3:6] | 2 |
C(C=C)(=O)Cl.C(C)(=O)N1CCN(CC1)C1CCC(CC1)N1N=C(C=2C1=NC=NC2NC(OC(C)(C)C)=O)C2=CC(=C(C=C2)OC2=CC=CC=C2)N>C1(=CC=NC=C1)N(C)C.ClCCl.C(=O)(C(F)(F)F)O>NC1=C2C(=NC=N1)N(N=C2C=2C=CC(=C(C2)NC(C=C)=O)OC2=CC=CC=C2)C2CCC(CC2)N2CCNCC2 | 3 |
NC1=C(C(=O)O)C=CC=N1.CC1=C(CN)C=CC=C1>>CC1=C(C=CC=C1)CNC(C1=C(N=CC=C1)N)=O | 5 |
[CH2:1]([N:8]1[CH2:13][CH2:12][CH:11]([N:14]2[C:18]3[N:19]=[C:20](Cl)[N:21]=[C:22]([N:23]4[CH2:28][CH2:27][O:26][CH2:25][CH2:24]4)[C:17]=3[N:16]=[N:15]2)[CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CC1(C)C(C)(C)OB([C:38]2[CH:43]=[CH:42][C:41]([NH2:44])=[CH:40][CH:39]=2)O1>>[CH2:1]([N:8]1[CH2:13][CH2:12][CH... | 2 |
ClC=1C=CC(=C(NC)C1)[N+](=O)[O-].CC=1C=C(C=C(C1[N+](=O)[O-])C)O>CC(C)(C)[O-].[K+].Cl.CN(C(C)=O)C>CC=1C=C(OC=2C=CC(=C(C2)NC)[N+](=O)[O-])C=C(C1[N+](=O)[O-])C | 3 |
[CH:1]1([C@@H:4]([C:11]2[CH:16]=[CH:15][C:14]([CH2:17]O)=[C:13]([OH:19])[CH:12]=2)[C@H:5]([CH3:10])[C:6]([O:8][CH3:9])=[O:7])[CH2:3][CH2:2]1.[F:20][C:21]1[CH:26]=[CH:25][C:24]([O:27][CH3:28])=[CH:23][C:22]=1[C:29]1[CH:30]=[CH:31][C:32]([CH:35]=[CH2:36])=[N:33][CH:34]=1>C1(C)C(C)=CC=CC=1>[CH:1]1([C@@H:4]([C:11]2[CH:12]=... | 2 |
CC1=C(C(=O)OC(C)C)C(=CC=C1)C>>ClCC1=C(C(=O)OC(C)C)C(=CC=C1)C | 5 |
CI.BrC=1C=C2C(=NC1)C(C(N2)=O)(C)C>N(C)(C)C=O.[H-].[Na+]>BrC=1C=C2C(=NC1)C(C(N2C)=O)(C)C | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)CO.ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.C(C)C=1N=C(SC1)C1=C(N)C=CC=C1>>C(C)C=1N=C(SC1)C1=C(C=CC=C1)NC(=O)OCC1CCN(CC1)C(=O)OC(C)(C)C | 5 |
CN(S(=O)(=O)Cl)C.C[C@H]1[C@H](CNCC1)N1C(NC=2C1=C1C(=NC2)NC=C1)=O>O1CCOCC1.C(O)([O-])=O.[Na+]>CN(S(=O)(=O)N1C[C@@H]([C@@H](CC1)C)N1C(NC=2C1=C1C(=NC2)NC=C1)=O)C | 3 |
Cl.[F:2][CH2:3][C:4]([C:8]1[CH:9]=[C:10]([NH:20][C:21]([NH:23][C:24]2[C:25]([CH3:36])=[N:26][C:27]([N:30]3[CH2:35][CH2:34][NH:33][CH2:32][CH2:31]3)=[CH:28][CH:29]=2)=[O:22])[N:11]([C:13]2[CH:18]=[CH:17][C:16]([CH3:19])=[CH:15][CH:14]=2)[N:12]=1)([CH2:6][F:7])[CH3:5].[F:37][C:38]1[CH:46]=[CH:45][CH:44]=[C:43]([F:47])[C:... | 1 |
Cl.[CH3:2][O:3][C:4]([C:6]1([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH2:11][CH2:10][NH:9][CH2:8][CH2:7]1)=[O:5].[C:18]([N:26]1[CH2:30][CH2:29][C:28]([CH2:39][CH2:40]CS([O-])(=O)=O)([C:31]2[CH:36]=[CH:35][C:34]([Cl:37])=[C:33]([Cl:38])[CH:32]=2)[CH2:27]1)(=[O:25])[C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1.C(... | 1 |
C(C)OC(C(=CN(C)C)C=1C=NC=CC1)=O.N(N)C1=NC=C(C(=C1)C)C>>CC1=CC(=NC=C1C)N1NC=C(C1=O)C=1C=NC=CC1 | 5 |
C(C1=CC=CC=C1)N1CCC(=CC1)N1CCCC1.FC=1C=C2C(=CNC2=CC1)CN(C)C>O1CCOCC1>C(C1=CC=CC=C1)N1CC(C(CC1)=O)CC1=CNC2=CC=C(C=C12)F | 3 |
[CH3:1][C:2]1([CH3:12])[O:6][C@@H:5]([CH2:7][C:8]([OH:10])=[O:9])[C:4](=[O:11])[O:3]1.C(N(CC)CC)C.[C:20]([Si:24](Cl)([C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1)[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)([CH3:23])([CH3:22])[CH3:21]>ClCCl.C1(C)C=CC=CC=1>[CH3:1][C:2]1([CH3:12])[O:6][C@@H:5]([CH2:7][C:8]([O:10][Si... | 1 |
N1=C(N=CC=C1)N1CCNCC1.ClCC1=NC2=CC=CC=C2C(N1)=O>N(C)(C)C=O.CCN(CC)CC>N1=C(N=CC=C1)N1CCN(CC1)CC=1NC2=CC=CC=C2C(N1)=O | 3 |
ClCC(=O)Cl.N[C@H]1[C@@H](CN(CC1)C=1C(=C(C=C(C1)C#N)NC1=NN2C(C(=N1)N(CC1=CC=C(C=C1)OC)C1CC1)=NC=C2C#N)Cl)O[Si](C)(C)C(C)(C)C>ClCCl.CCN(CC)CC>[Si](C)(C)(C(C)(C)C)O[C@@H]1CN(CC[C@H]1NC(CCl)=O)C1=C(C(=CC(=C1)C#N)NC1=NN2C(C(=N1)N(CC1=CC=C(C=C1)OC)C1CC1)=NC=C2C#N)Cl | 3 |
Br[C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[C:4]([CH:11]([CH3:13])[CH3:12])=[N:5][NH:6]2.[BH:14]([OH:16])[OH:15]>>[CH:11]([C:4]1[C:3]2[C:2]([B:14]([OH:16])[OH:15])=[CH:10][CH:9]=[CH:8][C:7]=2[NH:6][N:5]=1)([CH3:13])[CH3:12] | 1 |
Cl[CH2:2][C:3](Cl)=[O:4].[NH2:6][C:7]1[CH:12]=[C:11]([Cl:13])[CH:10]=[C:9]([N+:14]([O-:16])=[O:15])[C:8]=1[OH:17].C(=O)([O-])[O-].[K+].[K+]>C(Cl)(Cl)Cl.[Cl-].C([N+](CC)(CC)CC)C1C=CC=CC=1>[Cl:13][C:11]1[CH:10]=[C:9]([N+:14]([O-:16])=[O:15])[C:8]2[O:17][CH2:2][C:3](=[O:4])[NH:6][C:7]=2[CH:12]=1 | 2 |
C(C)(C)(C)OC(=O)N1[C@H](C[C@H](C1)O)C(N(C(C(=O)NCCOC)C=1C=NC=CC1)C1=CC=C(C=C1)C(C)(C)C)=O>>C(C)(C)(C)C1=CC=C(C=C1)N(C(=O)[C@@H]1NC[C@@H](C1)O)C(C(=O)NCCOC)C=1C=NC=CC1 | 5 |
[C:1]([C:5]1[CH:6]=[C:7]2[C:11](=[CH:12][CH:13]=1)[C@@H:10]([OH:14])[CH2:9][CH2:8]2)([CH3:4])([CH3:3])[CH3:2].[CH3:15][O:16][C:17](=[O:29])[CH2:18][C@H:19]1[C:23]2[CH:24]=[CH:25][C:26](O)=[CH:27][C:22]=2[O:21][CH2:20]1>>[CH3:15][O:16][C:17](=[O:29])[CH2:18][C@H:19]1[C:23]2[CH:24]=[CH:25][C:26]([O:14][C@H:10]3[C:11]4[C:... | 2 |
[NH:1]1[CH:5]=[N:4][C:3]([C:6]2[CH:11]=[CH:10][C:9]([C:12]3[CH:13]=[N:14][N:15]4[CH:20]=[CH:19][C:18]([N:21]5[CH2:25][CH:24]([C:26]([F:29])([F:28])[F:27])[O:23][C:22]5=[O:30])=[N:17][C:16]=34)=[CH:8][CH:7]=2)=[N:2]1.[C:31]([OH:37])([C:33]([F:36])([F:35])[F:34])=[O:32].FC(F)(F)C1OC(=O)NC1.CC1(C)C(C)(C)OB(C2C=CC(C3N(COCC... | 1 |
CC1=C(OC2=C(C=CC=C2C1=O)C(=O)O)C1=CC=CC=C1.ClCCCN1CCN(CC1)C1=C(C=CC=C1)OC>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>Cl.Cl.COC1=C(C=CC=C1)N1CCN(CC1)CCCOC(=O)C1=CC=CC=2C(C(=C(OC21)C2=CC=CC=C2)C)=O | 3 |
Cl[C:2]1[CH:7]=[C:6]([NH:8][C:9]2[CH:18]=[CH:17][CH:16]=[CH:15][C:10]=2[C:11]([NH:13][CH3:14])=[O:12])[C:5]([C:19]([F:22])([F:21])[F:20])=[CH:4][N:3]=1.[CH3:23][N:24]1[C:28]([NH2:29])=[CH:27][CH:26]=[N:25]1.C(=O)([O-])[O-].[Cs+].[Cs+].CC1(C)C2C=CC=C(P(C3C=CC=CC=3)C3C=CC=CC=3)C=2OC2C1=CC=CC=2P(C1C=CC=CC=1)C1C=CC=CC=1>O1... | 1 |
[CH:1]1[C:13]2[NH:12][C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]=2[CH:4]=[C:3]([C:14]([O:16]CC)=O)[N:2]=1.[H-].[Na+].[CH3:21][C:22]1[CH:29]=[CH:28][C:25]([CH2:26]Br)=[CH:24][CH:23]=1.[OH-:30].[Na+].[NH2:32]O>CN(C=O)C.CO.O>[CH3:21][C:22]1[CH:29]=[CH:28][C:25]([CH2:26][N:12]2[C:13]3[CH:1]=[N:2][C:3]([C:14]([NH:32][O... | 1 |
B([O-])([O-])O[C:3]1[CH:8]=[CH:7][C:6]([O:9][CH2:10][CH2:11][CH2:12][O:13][CH2:14][CH2:15][CH3:16])=[CH:5][CH:4]=1.Br[C:20]1[CH:21]=[CH:22][C:23]2[N:29]([CH:30]=[O:31])[CH2:28][CH2:27][C:26]([C:32]([NH:34][C:35]3[CH:40]=[CH:39][C:38]([CH2:41][N:42]([CH3:49])[CH:43]4[CH2:48][CH2:47][O:46][CH2:45][CH2:44]4)=[CH:37][CH:36... | 1 |
COC=1C2CCC(C(C1C1=C(C=C(C=C1)C#CC)CCC)=O)C2>Cl.CC(=O)C>C(CC)C1=C(C=CC(=C1)C#CC)C1C(C2CCC(C1=O)C2)=O | 3 |
[Br-].C[Mg+].C(C)(C)(C)[S@](=O)\N=C\C1=CC=C(S1)C(=O)OC(C)(C)C>>C(C)(C)(C)OC(=O)C=1SC(=CC1)[C@@H](C)N[S@@](=O)C(C)(C)C | 5 |
C(C)(C)(C)OC(N(C)C)OC(C)(C)C.C1(=CC=C(C=C1)S(=O)(=O)N1C=C(C=C1)C(=O)O)C>C1(=CC=CC=C1)C.O>S(=O)(=O)(C1=CC=C(C)C=C1)N1C=C(C=C1)C(=O)OC(C)(C)C | 3 |
COC(=O)C1(CN(CC1)C(=O)OC(C)(C)C)CC=C>O.C1(=NC(=CC=C1)C)C.O.O.[O-][Os](=O)(=O)[O-].[K+].[K+].O1CCOCC1.I(=O)(=O)(=O)[O-].[Na+]>O=CCC1(CN(CC1)C(=O)OC(C)(C)C)C(=O)OC | 3 |
OC/C=C/C(=O)O.NC1=C(C(=NN1[C@H]1CNCCC1)C1=CC=C(C=C1)OC1=NC(=CC=C1)C(F)(F)F)C(=O)N>N(C)(C)C=O.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>NC1=C(C(=NN1[C@H]1CN(CCC1)C(\C=C\CO)=O)C1=CC=C(C=C1)OC1=NC(=CC=C1)C(F)(F)F)C(=O)N | 3 |
CS(=O)(=O)Cl.OCC(C1=CC(=CC=C1)[N+](=O)[O-])NC(OC(C)(C)C)=O>ClCCl.CCN(CC)CC>CS(=O)(=O)OCC(C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C | 3 |
BrC=1C=C2C(C(C(OC2=CC1)(C)C)(CO)CO)=O>>BrC=1C=C2C(C3(COC3)C(OC2=CC1)(C)C)=O | 5 |
C(#N)C=1C=C(CBr)C=CC1F.NC1=NC=C(C=C1)B1OC(C(O1)(C)C)(C)C>O.C1CCCO1.C([O-])([O-])=O.[K+].[K+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>NC1=CC=C(C=N1)CC=1C=CC(=C(C#N)C1)F | 3 |
C(C)OC([C@H](O)[C@H]1OC(OC1)(C)C)=O>O.C1CCCO1.[OH-].[Na+].[H-].[Al+3].[Li+].[H-].[H-].[H-]>CC1(OC[C@H](O1)[C@H](CO)O)C | 3 |
[C:1]([C:4]1[N:5]=[C:6]([C:28]2[CH:36]=[C:35]3[C:31]([CH:32]=[CH:33][NH:34]3)=[CH:30][CH:29]=2)[O:7][C:8]=1[C:9]1[CH:14]=[CH:13][C:12]([N:15]2[CH2:20][CH2:19][N:18](C(OCCCC)=O)[CH2:17][CH2:16]2)=[CH:11][CH:10]=1)(=[O:3])[NH2:2].CC1C=CC(S(O)(=O)=O)=CC=1>CO>[NH:34]1[C:35]2[C:31](=[CH:30][CH:29]=[C:28]([C:6]3[O:7][C:8]([C... | 2 |
SC1=C(C(=O)O)C=CC(=C1)OC.C(#N)C1=CC=CC(=N1)CCC(=O)OC(C)(C)C>>COC1=CC2=C(C(N=C(S2)C2=CC=CC(=N2)CCC(=O)OC(C)(C)C)=O)C=C1 | 5 |
FC1=C(C=CC=C1F)C1=NC=2C(C=NN(C2)CC2=CC(=NO2)C2=CC=C(C=C2)C#C[Si](C)(C)C)=N1>CO[H].C([O-])([O-])=O.[K+].[K+]>FC1=C(C=CC=C1F)C1=NC=2C(C=NN(C2)CC2=CC(=NO2)C2=CC=C(C=C2)C#C)=N1 | 3 |
C1(=CC=C(C=C1)C1=C(C(=O)OC)C=CC=C1)C>>BrCC1=CC=C(C=C1)C=1C(=CC=CC1)C(=O)OC | 5 |
C(C)(C)(C)OC(=O)[C@@H]1N(C(N(C1)C(=O)OCC1=CC=CC=C1)=O)C>>C(C)(C)(C)OC(=O)[C@@H]1N(C(NC1)=O)C | 5 |
ClC1=CC=C(C=C1)S(=O)(=O)Cl.NC=1C=C2CC[C@@H](CC2=CC1)NC(OC(C)(C)C)=O>C(C)(C)NC(C)C.O1CCOCC1>ClC1=CC=C(C=C1)S(=O)(=O)NC=1C=C2CC[C@@H](CC2=CC1)NC(OC(C)(C)C)=O | 3 |
C([C@:3]12[CH2:11][CH2:10][C@@H:9]3[C@@H:12]4[C:17]([CH:18]=[CH:19][C@H:8]3[C@@H:7]1[CH2:6][CH2:5][C@@H:4]2[O:21]C(=O)C)=[CH:16][C:15](=O)[CH2:14][CH2:13]4)C.C[Mg]Br.Cl>O1CCCC1>[CH2:6]([C@:5]12[CH2:14][CH2:13][C@@H:12]3[C@@H:17]4[C:16]([CH2:15][CH:8]([CH3:19])[C@H:9]3[C@@H:10]1[CH2:11][CH2:3][C@@H:4]2[OH:21])=[CH:5][C:... | 1 |
CC(C(=O)Cl)C.CC1=C(N)C=CC(=C1)[N+](=O)[O-]>>CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C)C | 5 |
CC1(C)[O:6][CH:5]([CH2:7][O:8][C:9]2[CH:10]=[CH:11][C:12]([CH3:35])=[C:13]([C:15]([C:17]3[CH:22]=[CH:21][C:20]([NH:23][C:24]4[CH:29]=[CH:28][C:27]([F:30])=[CH:26][C:25]=4[CH3:31])=[CH:19][C:18]=3[N+:32]([O-:34])=[O:33])=[O:16])[CH:14]=2)[CH2:4][O:3]1.Cl>C1COCC1>[OH:6][CH:5]([CH2:4][OH:3])[CH2:7][O:8][C:9]1[CH:10]=[CH:1... | 1 |
C(C)(C)(C)OC(=O)N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C.NC1=CC(=NC(=C1)Cl)Cl>>NC1=CC(=NC(=C1)Cl)C=1CCN(CC1)C(=O)OC(C)(C)C | 5 |
NC1=NC(=NS1)CC.CC(C(=O)O)(C)N1COC(=C(C1=O)C1=CSC=C1)C>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC.Cl.CN(CCCN=C=NCC)C>C(C)C1N(SC=N1)NC(C(C)(N1COC(=C(C1=O)C1=CSC=C1)C)C)=O | 3 |
Cl[C:2]1[N:7]=[CH:6][N:5]=[C:4]([N:8]2[CH:12]=[CH:11][CH:10]=[N:9]2)[CH:3]=1.[Na].[CH:14]([OH:17])([CH3:16])[CH3:15]>>[CH:14]([O:17][C:2]1[N:7]=[CH:6][N:5]=[C:4]([N:8]2[CH:12]=[CH:11][CH:10]=[N:9]2)[CH:3]=1)([CH3:16])[CH3:15] | 1 |
ClC1=C(C=C(C=C1)CCNC(C)=O)CO>>ClC1=C(C=C(C=C1)CCNC(C)=O)C=O | 5 |
Br[C:2]1[CH:3]=[C:4]([N:9]([CH2:23][O:24][CH2:25][CH2:26][Si:27]([CH3:30])([CH3:29])[CH3:28])[C:10](=[O:22])[C:11]2[CH:16]=[CH:15][CH:14]=[C:13]([C:17]([C:20]#[N:21])([CH3:19])[CH3:18])[CH:12]=2)[CH:5]=[CH:6][C:7]=1[CH3:8].[CH3:31][N:32]1[C:36]2[CH:37]=[CH:38][CH:39]=[CH:40][C:35]=2[NH:34][C:33]1=[O:41].CN(C)[C@@H]1CCC... | 2 |
[NH2:1][C@H:2]([C:7]([OH:9])=[O:8])[C:3]([CH3:6])([CH3:5])[CH3:4].[Cl:10][C:11]1[CH:19]=[CH:18][C:14]([C:15](Cl)=[O:16])=[CH:13][CH:12]=1>>[Cl:10][C:11]1[CH:19]=[CH:18][C:14]([C:15]([NH:1][CH:2]([C:3]([CH3:6])([CH3:5])[CH3:4])[C:7]([OH:9])=[O:8])=[O:16])=[CH:13][CH:12]=1 | 1 |
[Br:1][C:2]1[CH:7]=[CH:6][N:5]2[CH:8]=[C:9]([CH:11]([CH3:13])[CH3:12])[N:10]=[C:4]2[CH:3]=1.[Cl:14][S:15](O[Si](C)(C)C)(=[O:17])=[O:16].C(N(CC)CC)C.P(Cl)(Cl)(Cl)=O>ClCCCl>[Br:1][C:2]1[CH:7]=[CH:6][N:5]2[C:8]([S:15]([Cl:14])(=[O:17])=[O:16])=[C:9]([CH:11]([CH3:13])[CH3:12])[N:10]=[C:4]2[CH:3]=1 | 1 |
C(C1=CC=CC=C1)OC(CC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=O>CC#N.CO[H].CN1CCOCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>C(C)(C)(C)OC(=O)N[C@H](C(=O)OC)CCC(=O)OCC1=CC=CC=C1 | 3 |
ClC=1C=[N+](C=CC1OC(C)C)[O-]>>ClC=1C(=NC=CC1OC(C)C)C#N | 5 |
ClC(=O)OC.BrC(=CC1=CC(=C(C=C1)C)C)Br>C(CCC)[Li]>CC=1C=C(C=CC1C)C#CC(=O)OC | 3 |
[CH2:1]([N:3]([CH:29]1[CH2:34][CH2:33][O:32][CH2:31][CH2:30]1)[C:4]1[C:20]2[CH2:19][CH2:18][CH2:17][CH2:16][O:15][CH2:14][C:13]3[CH:21]=[C:22]([CH3:27])[N:23]=[C:24]([O:25]C)[C:12]=3[CH2:11][NH:10][C:9](=[O:28])[C:8]=2[CH:7]=[CH:6][CH:5]=1)[CH3:2].Cl.CO.C(OC)(C)(C)C>CCOC(C)=O>[CH2:1]([N:3]([CH:29]1[CH2:30][CH2:31][O:32... | 2 |
C([NH:4][C:5]1[C:13]([N+:14]([O-:16])=[O:15])=[CH:12][C:8]([C:9]([OH:11])=[O:10])=[C:7]([F:17])[CH:6]=1)(=O)C.Cl>O1CCOCC1>[NH2:4][C:5]1[C:13]([N+:14]([O-:16])=[O:15])=[CH:12][C:8]([C:9]([OH:11])=[O:10])=[C:7]([F:17])[CH:6]=1 | 1 |
C(C)OC(C(C)(C1CCN(CC1)C1=NC=C(C=C1)[N+](=O)[O-])C)=O>>CC(C(=O)O)(C)C1CCN(CC1)C1=NC=C(C=C1)[N+](=O)[O-] | 5 |
C(C#C)OC1=C(C=C(C(=O)OCC#C)C=C1)F>CCO[H].[OH-].[Na+]>C(C#C)OC1=C(C=C(C(=O)O)C=C1)F | 3 |
[C:1]1(/[CH:7]=[N:8]/[C:9]2[CH:10]=[CH:11][CH:12]=[C:13]3[C:18]=2[CH:17]=[C:16]([OH:19])[CH:15]=[CH:14]3)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C([O-])([O-])=O.[K+].[K+].[CH2:26](Br)[CH:27]=[CH2:28].O>CN(C=O)C>[CH2:28]([O:19][C:16]1[CH:17]=[C:18]2[C:13]([CH:12]=[CH:11][CH:10]=[C:9]2/[N:8]=[CH:7]/[C:1]2[CH:6]=[CH:5][CH:4]=[... | 2 |
ClC(=O)OCC1=CC=CC=C1.C1(CC1)C(N)C1=NC(=NC=C1)SC>O.ClCCl.C(C)(C)N(C(C)C)CC>C1(CC1)C(C1=NC(=NC=C1)SC)NC(OCC1=CC=CC=C1)=O | 3 |
ClC1=NC=C(C(=O)OCC)C=C1.ClC=1C=C(C=CC1)[C@H](CN(C(=O)OC(C)(C)C)[C@H]1CCC=2C=CC(=CC2C1)O)O>>C(C)OC(C1=CN=C(C=C1)OC1=CC=2C[C@H](CCC2C=C1)N(C(=O)OC(C)(C)C)C[C@H](O)C1=CC(=CC=C1)Cl)=O | 5 |
[CH2:1]([O:8][C:9]1[C:14](=[O:15])[CH:13]=[C:12]([CH2:16][OH:17])[O:11][C:10]=1[C:18]([O:20][CH3:21])=[O:19])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:22][S:23](Cl)(=[O:25])=[O:24]>C(Cl)Cl>[CH2:1]([O:8][C:9]1[C:14](=[O:15])[CH:13]=[C:12]([CH2:16][O:17][S:23]([CH3:22])(=[O:25])=[O:24])[O:11][C:10]=1[C:18]([O:20][CH3... | 2 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([NH:11][C:12](=[O:36])[O:13][CH2:14][CH2:15][C:16]2[CH:21]=[CH:20][C:19]([N:22]3[C:26]([CH3:27])=[C:25]([C:28]4[CH:33]=[CH:32][C:31](F)=[CH:30][CH:29]=4)[C:24]([CH3:35])=[N:23]3)=[CH:18][CH:17]=2)(=[O:10])=[O:9])=[CH:4][CH:3]=1.CC1(C)C(C)(C)OB(C2C=CC([NH:49][C:50](=[O:52])[CH3:51])... | 2 |
[I:1][C:2]1[C:3]([CH3:12])=[C:4]([N+:9]([O-:11])=[O:10])[C:5](=[O:8])[NH:6][CH:7]=1.[H-].[Na+].[CH2:15](Br)[CH2:16][CH2:17][CH2:18][CH2:19][CH3:20].O>CN(C=O)C>[CH2:15]([N:6]1[CH:7]=[C:2]([I:1])[C:3]([CH3:12])=[C:4]([N+:9]([O-:11])=[O:10])[C:5]1=[O:8])[CH2:16][CH2:17][CH2:18][CH2:19][CH3:20] | 1 |
C(C1=CC=CC=C1)(=O)O[C@H]1[C@@H](OC)O[C@@H]([C@@H]([C@@H]1OC(C1=CC=CC=C1)=O)O)COC(C1=CC=CC=C1)=O>>C(C1=CC=CC=C1)(=O)O[C@H]1[C@@H](OC)O[C@@H]([C@H]([C@@H]1OC(C1=CC=CC=C1)=O)F)COC(C1=CC=CC=C1)=O | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C)(=O)O.[Si](C)(C)(C(C)(C)C)O[C@H]1[C@H]2NCCN[C@H]2CCC1>>[Si](C)(C)(C(C)(C)C)O[C@H]1[C@H]2NCCN([C@H]2CCC1)C(=O)OC(C)(C)C | 5 |
Br[C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9](=[O:11])[CH3:10])=[C:4]([CH3:12])[C:3]=1[Cl:13].[Cu](C#N)[C:15]#[N:16].O>CN(C=O)C>[Cl:13][C:3]1[C:4]([CH3:12])=[C:5]([NH:8][C:9](=[O:11])[CH3:10])[CH:6]=[CH:7][C:2]=1[C:15]#[N:16] | 1 |
ClC1=CC=C(C=C1)S(=O)(=O)C(C(=O)N)(C)C>P(=O)(Cl)(Cl)Cl>ClC1=CC=C(C=C1)S(=O)(=O)C(C#N)(C)C | 3 |
FC(F)(F)S(O[C:7]1[C:8]([C:13]([O:15][CH3:16])=[O:14])=[N:9][CH:10]=[CH:11][CH:12]=1)(=O)=O.C(=O)([O-])[O-].[K+].[K+].[C:25]1(B(O)O)[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1>C1(C)C=CC=CC=1.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC... | 1 |
N[C@@H]1C[C@@H]([C@@H]2[C@H]1OC(O2)(C)C)O>C1(=CC=CC=C1)C.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.C1(C=2C(C(=O)O1)=CC=CC2)=O>O[C@H]1C[C@H]([C@H]2[C@@H]1OC(O2)(C)C)N2C(C1=CC=CC=C1C2=O)=O | 3 |
C1(=CC=CC=C1)CC=O.N1C(CCC2=CC=CC=C12)CNC(=O)NC1=C2C=NN(C2=CC=C1)C(=O)OC>C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>C1(=CC=CC=C1)CCN1C(CCC2=CC=CC=C12)CNC(=O)NC1=C2C=NN(C2=CC=C1)C(=O)OC | 3 |
COC(=O)C1=CC=CC=2N=C(NC21)C=2C(NC=CC2NC[C@H](C2=CC=CC=C2)O)=O>C1CCCO1.[OH-].[Li+]>O[C@H](CNC1=C(C(NC=C1)=O)C=1NC2=C(N1)C=CC=C2C(=O)O)C2=CC=CC=C2 | 3 |
C(C1=CC=CC=C1)(=O)Cl.CC=1C=C2C=CNC2=CC1>>CC=1C=C2C=CN(C2=CC1)C(=O)C1=CC=CC=C1 | 5 |
[CH3:1][N:2]([CH3:20])[C:3]([C:5]1[N:14]([CH:15]2[CH2:19][CH2:18][CH2:17][CH2:16]2)[C:8]2[N:9]=[C:10](Cl)[N:11]=[CH:12][C:7]=2[CH:6]=1)=[O:4].[C:21]([O:25][C:26]([N:28]1[CH2:33][CH2:32][N:31]([C:34]2[N:35]=[N:36][C:37]([NH2:40])=[CH:38][CH:39]=2)[CH2:30][CH2:29]1)=[O:27])([CH3:24])([CH3:23])[CH3:22]>>[C:21]([O:25][C:26... | 1 |
CB1OB(OB(O1)C)C.ClC=1N=C2C(=NC1N1CCC3(CC1)CC1=CC(=CC=C1[C@H]3NC(OC(C)(C)C)=O)F)N(N=C2N2CCCC=3C(N(C=CC23)C)=O)C2OCCCC2>O.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]>FC1=CC=C2[C@H](C3(CCN(CC3)C3=C(N=C4C(=N3)N(N=C4N4CCCC=3C(N(C=CC43)C)=... | 3 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[NH:11][C:10](=S)[C@@H:9]([CH2:13][C:14]([O:16][CH2:17][CH3:18])=[O:15])[O:8][C@H:7]([C:19]3[CH:24]=[CH:23][CH:22]=[C:21]([O:25][CH3:26])[C:20]=3[CH3:27])[C:6]=2[CH:28]=1.O.NN.[F:32][C:33]([F:38])([CH3:37])[C:34](O)=O.Cl.C(N=C=NCCCN(C)C)C.O[N:52]1C2C=CC=CC=2N=[N:53]1>[Cl-].[Na+].O.C(OCC)(... | 2 |
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