smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(#N)C(C)(C)C1=CC=C(C(=O)NC2=NC=3N(C(=C2)C2=CC=CC=C2)N=C(C3)C)C=C1>CO[H].[HH].[HH].[Ni]>NCC(C)(C)C1=CC=C(C(=O)NC2=NC=3N(C(=C2)C2=CC=CC=C2)N=C(C3)C)C=C1 | 3 |
[C:1]([C:5]1[C:6](=[O:17])[NH:7][C:8]2[C:13]([N:14]=1)=[CH:12][CH:11]=[C:10]([O:15][CH3:16])[CH:9]=2)([CH3:4])([CH3:3])[CH3:2].Br[CH2:19][C:20](=[O:25])[C:21]([CH3:24])([CH3:23])[CH3:22].C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C=O)C>[C:1]([C:5]1[C:6](=[O:17])[N:7]([CH2:19][C:20](=[O:25])[C:21]([CH3:24])([CH3:23])[CH3:22])[C:8]2... | 2 |
[OH:1][CH2:2][CH2:3][N:4]([CH3:32])[C:5](=[O:31])[C:6]1[CH:11]=[CH:10][C:9]([CH:12]([C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=2[CH3:30])[CH2:13][C:14]([C:16]2[CH:21]=[CH:20][C:19](=[O:22])[N:18]([CH3:23])[CH:17]=2)=O)=[CH:8][CH:7]=1.Cl.[NH2:34][OH:35].C([O-])(O)=O.[Na+]>>[OH:1][CH2:2][CH2:3][N:4]([CH3:32])[C:5](=[O:3... | 1 |
[Na].[NH2:2][C:3]1[C:8](Br)=[N:7][C:6]([Cl:10])=[CH:5][N:4]=1.[OH2:11].[CH3:12]O>>[NH2:2][C:3]1[C:8]([O:11][CH3:12])=[N:7][C:6]([Cl:10])=[CH:5][N:4]=1 | 1 |
C[Mg]I.[Br:4][C:5]1[CH:6]=[C:7]2[C:11](=[CH:12][CH:13]=1)[NH:10][CH:9]=[CH:8]2.Br[C:15]1[S:16][CH:17]=[CH:18][N:19]=1.O>C(OCC)C.C1(C)C=CC=CC=1>[Br:4][C:5]1[CH:6]=[C:7]2[C:11](=[CH:12][CH:13]=1)[NH:10][CH:9]=[C:8]2[C:15]1[S:16][CH:17]=[CH:18][N:19]=1 | 2 |
C(OC(C)(C)C)(OC(C)(C)C)=O.NC1=CC=C2C=CC(=CC2=C1)O>>OC1=CC=C2C=CC(=CC2=C1)NC(OC(C)(C)C)=O | 5 |
[NH2:1][C:2]1[C:6]2[C:7](=[O:17])[N:8]([CH:12]([CH:14]3[CH2:16][CH2:15]3)[CH3:13])[CH:9]=[C:10]([Br:11])[C:5]=2[NH:4][N:3]=1>CCCCCC.C(O)C>[NH2:1][C:2]1[C:6]2[C:7](=[O:17])[N:8]([C@H:12]([CH:14]3[CH2:15][CH2:16]3)[CH3:13])[CH:9]=[C:10]([Br:11])[C:5]=2[NH:4][N:3]=1 | 1 |
CI.BrC1=CC=C2C=C(NC2=C1)C=O>N(C)(C)C=O.[H-].[Na+]>BrC1=CC=C2C=C(N(C2=C1)C)C=O | 3 |
Cl.ClCCN1CCOCC1.OC=1C=C2C(=NN(C2=CC1)C1=CC(=CC=C1)I)C(=O)N>>IC=1C=C(C=CC1)N1N=C(C2=CC(=CC=C12)OCCN1CCOCC1)C(=O)N | 5 |
[CH2:1]([N:8]1[CH2:12][CH:11](O)[CH:10]([N:14]([CH2:16][CH2:17][OH:18])[CH3:15])[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.O>S(=O)(=O)(O)O>[CH2:1]([N:8]1[CH2:12][CH:11]2[CH:10]([N:14]([CH3:15])[CH2:16][CH2:17][O:18]2)[CH2:9]1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
[Cl:1][CH2:2][C:3]1(O)[CH2:7][S:6][C:5]([CH2:8][N:9]([CH3:11])[CH3:10])=[N:4]1.S(Cl)(Cl)(=O)=O>ClCCCl>[ClH:1].[Cl:1][CH2:2][C:3]1[N:4]=[C:5]([CH2:8][N:9]([CH3:11])[CH3:10])[S:6][CH:7]=1 | 1 |
[N:1]1([CH2:6][C@@H:7]2[C@H:10]([NH:11][C:12](=[O:37])/[C:13](=[N:27]\[O:28][CH2:29][C:30]([O:32]C(C)(C)C)=[O:31])/[C:14]3[N:15]=[C:16]([NH:19]C(OC(C)(C)C)=O)[S:17][CH:18]=3)[C:9](=[O:38])[N:8]2[S:39]([OH:42])(=[O:41])=[O:40])[CH:5]=[N:4][CH:3]=[N:2]1.C(O)(C(F)(F)F)=O>C(Cl)Cl>[N:1]1([CH2:6][C@@H:7]2[C@H:10]([NH:11][C:1... | 1 |
N12C[C@@H](C(CC1)CC2)OC2=CC=C(N=N2)C2=CC=C(C=C2)N>>N12C[C@@H](C(CC1)CC2)OC2=CC=C(N=N2)C2=CC(=C(C=C2)N)Br | 5 |
C(C1=CC=CC=C1)OC(=O)C1(OCC(OC1)(C)C)C=C>O.C1CCCO1.O[Li].O>CC1(OCC(OC1)(C(=O)O)C=C)C | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[OH:8].C(=O)([O-])[O-].[Cs+].[Cs+].Br[CH:16]([CH3:18])[CH3:17].O>CN(C)C=O>[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[O:8][CH:16]([CH3:18])[CH3:17] | 1 |
BrC=1C2=C(C(N(C1)C)=O)NC(=C2C(=O)OCC)C.FC(C(C#C)(O)C=1C=NC=CC1)(F)F>[Cu]I.N(C)(C)C=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].CCN(CC)CC>CC1=C(C2=C(C(N(C=C2C#CC(C(F)(F)F)(C=2C=NC=CC2)O)C)=O)N1)C(=O)OCC | 3 |
Cl.[NH2:2][C@H:3]1[C@H:7]([C:8]2[CH:13]=[CH:12][C:11]([F:14])=[C:10]([F:15])[CH:9]=2)[CH2:6][N:5]([CH2:16][C:17]#[N:18])[CH2:4]1.[CH3:19][O:20][CH2:21][CH2:22][O:23][C:24]1[C:28]([CH3:29])=[C:27]([NH:30][C:31](=O)[O:32]C2C=CC=CC=2)[N:26]([C:40]2[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=2)[N:25]=1.CC(N(C)C)=O.CCN(C(C)C)C(C)... | 2 |
[OH:1][C:2]1[CH:7]=[C:6]([OH:8])[N:5]=[C:4]([C:9]([F:12])([F:11])[F:10])[C:3]=1[C:13]([O:15][CH2:16][CH3:17])=[O:14].C(=O)([O-])[O-].[K+].[K+].I[CH:25]([CH3:27])[CH3:26].[CH3:28][C:29]([CH3:31])=O>>[CH:25]([O:1][C:2]1[CH:7]=[C:6]([O:8][CH:29]([CH3:31])[CH3:28])[N:5]=[C:4]([C:9]([F:12])([F:10])[F:11])[C:3]=1[C:13]([O:15... | 1 |
C(C1=CC=CC=C1)(=O)O[C@@H]1[C@@H](N(C[C@@H]([C@H]1OC(C1=CC=CC=C1)=O)OC(C1=CC=CC=C1)=O)CCC1=C(C=CC=C1)F)CO>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.C(Br)(Br)(Br)Br>C(C1=CC=CC=C1)(=O)O[C@@H]1[C@@H](N(C[C@@H]([C@H]1OC(C1=CC=CC=C1)=O)OC(C1=CC=CC=C1)=O)CCC1=C(C=CC=C1)F)CBr | 3 |
C(Cl)(=O)C(Cl)=O.[CH3:7][C:8]1[O:9][C:10]2[CH:16]=[C:15]([C:17]([OH:19])=O)[CH:14]=[C:13]([O:20][CH2:21][CH:22]([CH3:24])[CH3:23])[C:11]=2[CH:12]=1.[NH2:25][C:26]1[CH:31]=[CH:30][C:29]([C:32]([O:34][CH3:35])=[O:33])=[CH:28][N:27]=1>C(Cl)Cl>[CH3:7][C:8]1[O:9][C:10]2[CH:16]=[C:15]([C:17](=[O:19])[NH:25][C:26]3[CH:31]=[CH... | 1 |
C(C1=CC=CC=C1)N1CCC(CC1)(C=1C=NC=CC1)O.S(=O)(=O)([O-])OS(=O)(=O)[O-].[K+].[K+]>>C(C1=CC=CC=C1)N1CCC(=CC1)C=1C=NC=CC1 | 5 |
ClC1=C(C=C(C=C1)OC=1C=CC(=NC1)C#N)C(F)(F)F>>ClC1=C(C=C(C=C1)OC=1C=CC(=NC1)C=O)C(F)(F)F | 5 |
O([K])C#N.S(=O)(=O)(O)O.NC=1C=C(C=CC1)OB(O)O.NC=1C=C(C=CC1)OB(O)O>O.C(C)(=O)O>N(C(=O)N)C=1C=C(C=CC1)OB(O)O | 3 |
[C:1](OC(=O)C)(=[O:3])C.C(O)=O.[NH2:11][C:12]1[CH:17]=[CH:16][C:15]([CH2:18][C:19]([O:21][CH3:22])=[O:20])=[CH:14][CH:13]=1>C(=O)(O)[O-].[Na+]>[CH:1]([NH:11][C:12]1[CH:13]=[CH:14][C:15]([CH2:18][C:19]([O:21][CH3:22])=[O:20])=[CH:16][CH:17]=1)=[O:3] | 1 |
[CH2:1]([N:8]1[CH2:12][C@@H:11]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=2Br)[C@H:10]([C:20]2[CH:25]=[C:24]([Cl:26])[CH:23]=[CH:22]C=2O)[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:28](=[O:31])([O-])[O-].[Cs+].[Cs+].CN(C)CC(O)=O>O1CCOCC1.[Cu]I>[Cl:26][C:24]1[CH:23]=[CH:22][C:28]2[O:31][C:18]3[CH:17]=[CH:16][... | 1 |
[OH:1][C@H:2]1[CH2:6][CH2:5][N:4]([C:7]([O:9][C:10]([CH3:13])([CH3:12])[CH3:11])=[O:8])[C@@H:3]1[CH2:14][OH:15].C([Sn](CCCC)=O)CCC.[CH3:26][S:27](Cl)(=[O:29])=[O:28]>C1(C)C=CC=CC=1>[C:10]([O:9][C:7]([N:4]1[CH2:5][CH2:6][C@H:2]([OH:1])[C@H:3]1[CH2:14][O:15][S:27]([CH3:26])(=[O:29])=[O:28])=[O:8])([CH3:11])([CH3:12])[CH3... | 1 |
COC(=O)C(O)=C[C:6](=O)[N:7](CC1C=CC(Cl)=C(Cl)C=1)[CH3:8].C=O.CC(N)CN.[Cl:28][C:29]1[CH:30]=[C:31]([CH:45]=[CH:46][C:47]=1[Cl:48])[CH2:32][N:33]([CH3:44])[C:34]([C:36]1[CH2:37][N:38]([CH3:43])[C:39](=[O:42])[C:40]=1[OH:41])=[O:35]>>[Cl:28][C:29]1[CH:30]=[C:31]([CH:45]=[CH:46][C:47]=1[Cl:48])[CH2:32][N:33]([CH3:44])[C:34... | 1 |
CN1C2=C(C(=C(C1=O)C(=O)OCC)OS(=O)(=O)C(F)(F)F)[C@@H](CC2)C>N(C)(C)C=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].CCN(CC)CC.C(C)[SiH](CC)CC>CN1C2=C(C=C(C1=O)C(=O)OCC)[C@@H](CC2)C | 3 |
[O:1]=[C:2]1[N:6]([CH:7]2[CH2:12][CH2:11][N:10](C(OCC)=O)[CH2:9][CH2:8]2)[C:5]2[CH:18]=[CH:19][C:20]([C:22]([F:25])([F:24])[F:23])=[CH:21][C:4]=2[NH:3]1.[OH-].[K+].CC(O)C>O>[NH:10]1[CH2:11][CH2:12][CH:7]([N:6]2[C:5]3[CH:18]=[CH:19][C:20]([C:22]([F:24])([F:23])[F:25])=[CH:21][C:4]=3[NH:3][C:2]2=[O:1])[CH2:8][CH2:9]1 | 1 |
C(C=C)[Mg]Br.Cl[Si](C=C)(C)C>[Cl-].[NH4+]>C(C=C)[Si](C=C)(C)C | 3 |
[CH2:1]1[C:10]2[C:5](=[CH:6][CH:7]=[C:8]([C:11]([O:13]C)=[O:12])[CH:9]=2)[CH2:4][CH2:3][N:2]1[C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16].[Li+].[OH-].O>C1COCC1.CO.CC(OC)(C)C>[C:18]([O:17][C:15]([N:2]1[CH2:3][CH2:4][C:5]2[C:10](=[CH:9][C:8]([C:11]([OH:13])=[O:12])=[CH:7][CH:6]=2)[CH2:1]1)=[O:16])([CH3:21])([C... | 2 |
C(C)(C)(C)OC(=O)NCCNC[C@H]1C(N[C@@H](CO[C@@H]([C@H](C(N([C@H](C(N[C@H](C(N[C@H](C(N1)=O)CNC(OC(C)(C)C)=O)=O)C1CCCCCC1)=O)CC(C)C)C)=O)C)CCCCCC)C)=O>C(=O)(C(F)(F)F)O>NCCNC[C@H]1C(N[C@@H](CO[C@@H]([C@H](C(N([C@H](C(N[C@H](C(N[C@H](C(N1)=O)CN)=O)C1CCCCCC1)=O)CC(C)C)C)=O)C)CCCCCC)C)=O | 3 |
C(OC([N:6]1[C:10]2=[N:11][CH:12]=[C:13](B3OC(C)(C)C(C)(C)O3)[CH:14]=[C:9]2[CH:8]=[C:7]1[C:24]1[C:29]([F:30])=[CH:28][CH:27]=[CH:26][C:25]=1[F:31])=O)C.[CH3:32][NH:33][C:34]([C:36]1[CH:41]=[C:40]([CH3:42])[C:39](Br)=[CH:38][N:37]=1)=[O:35]>>[CH3:32][NH:33][C:34]([C:36]1[CH:41]=[C:40]([CH3:42])[C:39]([C:13]2[CH:14]=[C:9]... | 2 |
[CH:1]1([C:4]([N:6]2[C:15]3[C:10](=[C:11]([OH:34])[C:12]([C:16]4[CH:17]=[N:18][N:19]([CH:21]5[CH2:26][CH2:25][N:24]([C:27]([O:29][C:30]([CH3:33])([CH3:32])[CH3:31])=[O:28])[CH2:23][CH2:22]5)[CH:20]=4)=[CH:13][CH:14]=3)[CH2:9][CH2:8][C@@H:7]2[CH3:35])=[O:5])[CH2:3][CH2:2]1.Br[C:37]1[CH:42]=[C:41]([CH3:43])[N:40]=[C:39](... | 1 |
CC1=NC=CC(=C1)B1OC(C(O1)(C)C)(C)C.ClC1=CC=C(C=N1)CC=1C(=C(C2=C(C(N(CO2)[C@@H]2[C@H](CCC2)O)=O)C1)F)C>C([O-])([O-])=O.[Na+].[Na+].COCCOC.Cl[Pd]Cl.C(C)(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C.C(C)(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C>FC1=C(C(=CC=2C(N(COC21)[C@@H]2[C@H](CCC2)O)=O)CC=2C=CC(=NC2)C2=CC(=NC=C2)C)C | 3 |
CC1=CC=CC(=N1)C(=O)O.NC1=C2C=NN(C2=CC(=C1)C=1C=C(C(=NC1)Cl)NS(=O)(=O)C)C>ClCCl.ClC(=C(C)C)N(C)C>ClC1=C(C=C(C=N1)C1=CC(=C2C=NN(C2=C1)C)NC(=O)C1=NC(=CC=C1)C)NS(=O)(=O)C | 3 |
CC1=NN2C(NC(C(=C2CCC)CC2=CC=C(C=C2)C=2C(=CC=CC2)C#N)=O)=N1.C1(=CC=CC=C1)C1(CC1)CO>>CC1=NN2C(N(C(C(=C2CCC)CC2=CC=C(C=C2)C=2C(=CC=CC2)C#N)=O)CC2(CC2)C2=CC=CC=C2)=N1 | 5 |
C(C)(=O)OC(C)=O.C(C)(C)(C)OC(=O)N1C[C@H](CC1)O>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC>C(C)(=O)O[C@@H]1CN(CC1)C(=O)OC(C)(C)C | 3 |
BrCC=1C(=CC=CC1)C#N.OC1=CC=C(C=C1)C1=NOC(=C1)C(=O)N>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].[I-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(#N)C1=C(COC2=CC=C(C=C2)C2=NOC(=C2)C(=O)N)C=CC=C1 | 3 |
C(C)(=O)OC[C@@H]1[C@@](CC[C@@H](C1)OC(C)=O)(C)[C@@H]1[C@H]([C@@H]2C[C@@H](C([C@]2(CC1)C)=C)OC(C)=O)CN=[N+]=[N-]>O.C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3>C(C)(=O)OC[C@@H]1[C@@](CC[C@@H](C1)OC(C)=O)(C)[C@@H]1[C@H]([C@@H]2C[C@@H](C([C@]2(CC1)C)=C)OC(C)=O)CN | 3 |
ClS(=O)(=O)O.COC(OC)=O.C(C)(=O)C1=C(C=CC=C1)O>C1CCCCC1>C(C)(=O)C=1C=C(C=CC1O)S(=O)(=O)O | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([SH:9])[CH:6]=[CH:7][CH:8]=1.CS(O[CH2:15][C@@H:16]1[C@:25]2([CH3:26])[C@H:20]([C:21]([CH3:28])([CH3:27])[CH2:22][CH2:23][CH2:24]2)[CH2:19][CH2:18][C@:17]1([OH:30])[CH3:29])(=O)=O.C([O-])([O-])=O.[Cs+].[Cs+]>CC#N>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([S:9][CH2:15][C@@H:16]2[C@:25]3([CH3:26])[C@H:... | 1 |
O1CCOC12CC=C(CC2)C2=C1C=CC=NC1=CC=C2>ClCCl.C(=O)(C(F)(F)F)O>N1=CC=CC2=C(C=CC=C12)C1=CCC(CC1)=O | 3 |
[O:1]=[C:2]1[NH:7][CH2:6][CH:5]([C:8]2[CH:16]=[CH:15][C:11]([C:12]([OH:14])=O)=[CH:10][CH:9]=2)[CH2:4][CH2:3]1.[NH2:17][CH2:18][CH2:19][C:20]1[CH:21]=[C:22]2[C:26](=[CH:27][CH:28]=1)[NH:25][CH:24]=[C:23]2[C:29]#[N:30].C(N(C(C)C)CC)(C)C.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C(O)(C(F)(F)F)=O.O.C(O)(C(F)(... | 1 |
C(C)(C)I.N1C(=NC=C1)C=O>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>C(C)(C)N1C(=NC=C1)C=O | 3 |
O1C(=CC=C1)C=1OC(=C(N1)COC1=CC=C(COC2=NN(C=C2C=O)C2=CC=CC=C2)C=C1)C>>O1C(=CC=C1)C=1OC(=C(N1)COC1=CC=C(COC2=NN(C=C2C#N)C2=CC=CC=C2)C=C1)C | 5 |
ClC=1C=C(C=CC1)NC(=O)N1C(CN(CC1)C(=O)OC(C)(C)C)CO>N(C)(C)C=O.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>ClC=1C=C(C=CC1)N1C(N2C(CN(CC2)C(=O)OC(C)(C)C)C1)=O | 3 |
C(C)C1=CC=CC=C1.C1CCOC1.C(C)N1CC(O[C@H](C1)C1=CC=CC=C1)=O>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].BrCC(=O)OC>C(C)N1C(C(O[C@H](C1)C1=CC=CC=C1)=O)CC(=O)OC | 3 |
[CH2:1]([O:8][C:9]([N:11]1[CH2:16][CH2:15][N:14]([CH2:17][CH:18]=[CH2:19])[C:13](=[O:20])[CH2:12]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:21]([N:28]([CH2:39][C:40]1[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1)[CH:29]([CH2:32][C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)[CH:30]=[O:31])[C:22]1[CH:27]=[CH:26][... | 1 |
ClC1=NC=C(C(=N1)Cl)Cl.FC(CN)F>CC#N.C([O-])([O-])=O.[K+].[K+]>ClC1=NC=C(C(=N1)NCC(F)F)Cl | 3 |
Br[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH:8]([CH3:10])[CH3:9].[Mg].[C:12]([O:16][CH2:17][CH3:18])(=[O:15])[CH:13]=[O:14]>C1COCC1>[CH2:17]([O:16][C:12](=[O:15])[CH:13]([C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH:8]([CH3:10])[CH3:9])[OH:14])[CH3:18] | 2 |
C(N(C(C)C)C(C)C)C.[CH3:10][O:11][C:12](=[O:18])[C@@H:13]1[CH2:17][CH2:16][CH2:15][NH:14]1.Cl.CS(O[CH2:25][CH2:26][O:27][C:28]1[CH:33]=[CH:32][C:31]([C:34]#[C:35][C:36]2[CH:41]=[CH:40][C:39]([C:42]3[CH:47]=[CH:46][C:45]([Cl:48])=[CH:44][CH:43]=3)=[CH:38][N:37]=2)=[CH:30][CH:29]=1)(=O)=O>CN(C=O)C>[Cl:48][C:45]1[CH:46]=[C... | 1 |
C([N:8](CC1C=CC=CC=1)[C:9]1([CH2:14][NH:15][C:16]2[C:25]3[C:20](=[CH:21][CH:22]=[C:23](C)[CH:24]=3)[N:19]=[C:18]([N:27]3[CH2:33][C:32]4[CH:34]=[CH:35][CH:36]=[CH:37][C:31]=4[S:30](=[O:39])(=[O:38])[CH2:29][CH2:28]3)[CH:17]=2)[CH2:13]C[O:11][CH2:10]1)C1C=CC=CC=1.NCC1(N)COC1>>[NH2:8][C:9]1([CH2:14][NH:15][C:16]2[C:25]3[C... | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[C:7](=[O:11])[C:6]([F:16])([S:12]([CH3:15])(=[O:14])=[O:13])[CH2:5]2.[CH3:17][Mg]Br>O1CCCC1.C(OCC)C.C(OCC)(=O)C>[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[C:7]([CH3:17])([OH:11])[C:6]([F:16])([S:12]([CH3:15])(=[O:13])=[O:14])[CH2:5]2 | 1 |
O=C1NC(CCC1N1C(N(C2=C1C=CC=C2CCC(=O)N2CC1(C2)CCN(CC1)C(=O)OC(C)(C)C)C)=O)=O>ClCCl.C(=O)(C(F)(F)F)O>C1N(CC12CCNCC2)C(CCC2=CC=CC=1N(C(N(C12)C)=O)C1C(NC(CC1)=O)=O)=O | 3 |
NC=1SC2=NC(=CC=C2N1)OC.C1(CCCC1)C[C@@H](C(=O)O)C1=CC=CC=C1>C1CCCO1.ClS(Cl)=O.c1ccncc1>C1(CCCC1)C[C@@H](C(=O)NC=1SC2=NC(=CC=C2N1)OC)C1=CC=CC=C1 | 3 |
COC1=C(C=C(C(=N1)[N+](=O)[O-])NC(C)=O)C>CO[H].[OH-].[Na+]>COC1=C(C=C(C(=N1)[N+](=O)[O-])N)C | 3 |
C1(=CC=CC=C1)CN1CCC(CC1)=O.NC1=C(C=CC(=C1)OC)N1C=CC=C1>CCO[H].C(C)(=O)O>C(C1=CC=CC=C1)N1CCC2(CC1)C=1N(C3=CC=C(C=C3N2)OC)C=CC1 | 3 |
[OH:1][C:2]1[CH:16]=[CH:15][C:5]([C:6](=[N:13]O)[C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)=[CH:4][CH:3]=1.C([O-])(=O)C.[NH4+].C([BH3-])#N.[Na+].C(=O)([O-])O.[Na+].[OH-].[Na+]>[Cl-].[Cl-].[Cl-].[Ti+3].C(OCC)(=O)C>[OH:1][C:2]1[CH:3]=[CH:4][C:5]([CH:6]([NH2:13])[C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)=[CH:15][CH:16]... | 1 |
ClC1=C(CCl)C(=CC=C1)Cl.CC1=CNC2=CC(=CC=C12)CC(=O)OC>O.C([O-])([O-])=O.[K+].[K+].CN1C(CCC1)=O>ClC1=C(CN2C=C(C3=CC=C(C=C23)CC(=O)OC)C)C(=CC=C1)Cl | 3 |
Br[CH2:2][C:3]1[N:7]([CH3:8])[N:6]([CH:9]2[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]2)[C:5](=[O:15])[C:4]=1[Cl:16].[CH3:17][CH:18]1[CH2:23][NH:22][CH2:21][CH2:20][N:19]1[C:24]1[CH:25]=[C:26]([CH3:30])[CH:27]=[CH:28][CH:29]=1.C(=O)([O-])[O-].[K+].[K+]>C(#N)C>[Cl:16][C:4]1[C:5](=[O:15])[N:6]([CH:9]2[CH2:14][CH2:13][CH2:12]... | 2 |
CN(C)C.ClC1=NC=NC(=C1)CC>C1(=CC=CC=C1)C.ClCCl>C(C)C1=CC(=NC=N1)C#N | 3 |
[Si](C)(C)(C(C)(C)C)OC(CC(=O)NC(C#N)C1=C(C=CC(=C1)Cl)OC)(C)C>O(O[H])[H].C([O-])([O-])=O.[K+].[K+].CS(=O)C>NC(C(C1=C(C=CC(=C1)Cl)OC)NC(CC(C)(C)O[Si](C)(C)C(C)(C)C)=O)=O | 3 |
[N+](=O)([O-])C1=NNC(=C1)CO>>BrCCN1N=C(C=C1CO)[N+](=O)[O-] | 5 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([S:9]([N:12]2[C:20]3[C:15](=[CH:16][C:17]([O:21][CH2:22]C)=[CH:18][CH:19]=3)[C:14]([CH:24]=[CH:25][C:26]([OH:28])=[O:27])=[CH:13]2)(=[O:11])=[O:10])=[CH:5][CH:4]=1>C1COCC1.[Pd]>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([S:9]([N:12]2[C:20]3[C:15](=[CH:16][C:17]([O:21][CH3:22])=[CH:18][CH:... | 2 |
Cl.ClCC1=NC2=CC=CC=C2C=C1.OC=1C=C(C(=O)O)C=CC1>>N1=C(C=CC2=CC=CC=C12)COC=1C=C(C(=O)O)C=CC1 | 5 |
CSC1=NC=CC(=N1)C1=C(C=CC=C1)C>ClCCl.ClC=1C=C(C(=O)OO)C=CC1.[C-]#N.[K+]>C1(=C(C=CC=C1)C1=NC(=NC=C1)C#N)C | 3 |
C1(CCCCC1)C(=O)N.C(C)(C)(C)O[C@H](C(=O)OCC)C1=C(C2=C(N=C(S2)C2=CC(=NC=C2)C=2C=C3C=CC(=NC3=CC2)OS(=O)(=O)C(F)(F)F)C=C1C)C1=CC=C(C=C1)Cl>O1CCOCC1.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)... | 3 |
Br[C:2]1[CH:7]=[CH:6][C:5]([Br:8])=[CH:4][N:3]=1.[NH:9]1[CH:13]=[N:12][CH:11]=[N:10]1.O>CO>[Br:8][C:5]1[CH:6]=[CH:7][C:2]([N:9]2[CH:13]=[N:12][CH:11]=[N:10]2)=[N:3][CH:4]=1 | 2 |
COC(C1=CC(=C(C=C1)OC1=NC=C(C=C1)C(F)(F)F)C#N)=O>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>FC(C=1C=CC(=NC1)OC1=CC=C(C=C1)CO)(F)F | 3 |
[CH3:1][N:2]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[C:4]([C:11](Cl)=[O:12])=[CH:3]1.[Br:14][C:15]1[CH:16]=[C:17]([C:23]2[CH:28]=[CH:27][C:26]([CH2:29][NH:30][CH3:31])=[CH:25][CH:24]=2)[CH:18]=[CH:19][C:20]=1[O:21][CH3:22].C(N(CC)CC)C>C(Cl)Cl>[Br:14][C:15]1[CH:16]=[C:17]([C:23]2[CH:28]=[CH:27][C:26]([CH2:29][N:30]([... | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)(C)N.ClC1=NC(=NC=C1)C#N>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+].[I-].[Na+]>C(#N)C1=NC=CC(=N1)NC1(CCN(CC1)C(=O)OC(C)(C)C)C | 3 |
C(C)(C)(C)C#CB(OC(C)C)OC(C)C.BrC=1C=C(C(=O)NS(=O)(=O)C2=C(C=CC=C2)S(N)(=O)=O)C=CC1>>CC(C#CC=1C=C(C(=O)NS(=O)(=O)C2=C(C=CC=C2)S(N)(=O)=O)C=CC1)(C)C | 5 |
C(C1=CC=CC=C1)OCC(=O)Cl.C(C)(=O)O[C@@H](CCCCN1C(N(C(=C(C1=O)N=O)N)C)=O)C>O.[OH-].[Na+].C([O-])([O-])=O.[K+].[K+].S(=O)([O-])S(=O)[O-].[Na+].[Na+]>C(C1=CC=CC=C1)OCC1=NC=2N(C(N(C(C2N1)=O)CCCC[C@@H](C)O)=O)C | 3 |
FC(C1=CC=C(C=C1)N1C=C(C=C1)C=O)(F)F.ClC=1C=C(OCC(=O)N(C2CCNCC2)C)C=CC1>C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>ClC=1C=C(OCC(=O)N(C2CCN(CC2)CC2=CN(C=C2)C2=CC=C(C=C2)C(F)(F)F)C)C=CC1 | 3 |
C(C)=O.[Si](O)(O)(O)O.NC(=O)N>>[Si](O)(O)(O)O.NC(=O)N.C=O | 3 |
NC1=CC=C2C(C(=C(OC2=C1OC)C(C)C)C1=CC=C(C=C1)Cl)=O>ClCCl.B(Br)(Br)Br>NC1=CC=C2C(C(=C(OC2=C1O)C(C)C)C1=CC=C(C=C1)Cl)=O | 3 |
C1(CCCC1)Br.OC=1C(=NC=C(C(=O)OC)C1)OC>>C1(CCCC1)OC=1C(=NC=C(C(=O)OC)C1)OC | 5 |
COC=1C=C(C=CC1)B(O)O.BrC=1C=C(C=CC1)C1=CC(CCC1)=O>C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].P(=O)([O-])([O-])[O-].[K+].[K+].[K+].COCCOC.O.CCO>COC=1C=C(C=CC1)C1=CC(=CC=C1)C1=CC(CCC1)=O | 3 |
[NH2:1][C:2]1[NH:7][C:6](=[O:8])[N:5]([CH3:9])[C:4](=[O:10])[C:3]=1[NH:11][CH2:12][C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.[CH:19](OCC)(OCC)OCC>CN(C=O)C>[CH3:9][N:5]1[C:4](=[O:10])[C:3]2[N:11]([CH2:12][C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=3)[CH:19]=[N:1][C:2]=2[NH:7][C:6]1=[O:8] | 1 |
Br[C:2]1[CH:3]=[CH:4][C:5]2[N:9]=[CH:8][NH:7][C:6]=2[C:10]=1[CH3:11].C([O-])(O)=O.[Na+].CCOC(C)=O.[CH3:23][N:24](C=O)C>>[CH3:11][C:10]1[C:6]2[NH:7][CH:8]=[N:9][C:5]=2[CH:4]=[CH:3][C:2]=1[C:23]#[N:24] | 1 |
OC1CCC(CC1)=O.NC=1C(=CC(=NC1)C#CC)C1=CC=2N(C=C1)N=C(C2)NC2=NC(=NC(=C2)C)C>C1(=CC=CC=C1)C.CC([O-])C.[Ti+4].CC([O-])C.CC([O-])C.CC([O-])C.C(#N)[BH3-].[Na+]>CC1=NC(=CC(=N1)NC1=NN2C(C=C(C=C2)C2=C(C=NC(=C2)C#CC)NC2CCC(CC2)O)=C1)C | 3 |
FC1=CC=C(C=C1)C1=CC(=C2C(=N1)OC(=N2)CO)C(C)C>ClCCl.C=1C=C[NH+]=CC1.[O-][Cr](=O)(=O)Cl>FC1=CC=C(C=C1)C1=CC(=C2C(=N1)OC(=N2)C=O)C(C)C | 3 |
[CH3:1][C:2]1[CH:3]=[C:4]([OH:11])[CH:5]=[CH:6][C:7]=1[N+:8]([O-:10])=[O:9].[Br-:12].[Br-:13].[Br-].C([N+](C)(C)C)C1C=CC=CC=1.C([N+](C)(C)C)C1C=CC=CC=1.C([N+](C)(C)C)C1C=CC=CC=1.C([O-])([O-])=O.[Ca+2].Cl>C(Cl)Cl.CO>[Br:12][C:3]1[C:2]([CH3:1])=[C:7]([N+:8]([O-:10])=[O:9])[CH:6]=[C:5]([Br:13])[C:4]=1[OH:11] | 1 |
FC1=C(C=C(C=C1)B(O)O)C.BrC=1N=CN(C1)C>C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.COCCOC.O.CCO>FC1=C(C=C(C=C1)C=1N=CN(C1)C)C | 3 |
[S:1]1[C:5]([C:6](O)=[O:7])=[CH:4][C:3]2[CH2:9][CH2:10][CH2:11][CH2:12][C:2]1=2.C(Cl)(=O)C(Cl)=O.C(N(CC)CC)C.[CH3:26][NH:27][O:28][CH3:29]>CN(C=O)C.C(Cl)Cl>[CH3:29][O:28][N:27]([CH3:26])[C:6]([C:5]1[S:1][C:2]2[CH2:12][CH2:11][CH2:10][CH2:9][C:3]=2[CH:4]=1)=[O:7] | 1 |
Cl.[CH3:2][CH:3]([CH2:7][CH2:8][N:9]1[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]1)[C:4]([OH:6])=[O:5].C(N(C(C)C)C(C)C)C.C(Cl)(=O)C(Cl)=O.C(OC([N:37]1[C:41]([NH2:42])=[CH:40][C:39]([C:43]2[CH:44]=[C:45]3[C:50](=[CH:51][CH:52]=2)[N:49]=[CH:48][CH:47]=[CH:46]3)=[N:38]1)=O)(C)(C)C.FC(F)(F)C(O)=O>C(Cl)Cl.CN(C=O)C>[CH:4]([OH:6]... | 2 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:11][CH2:12][CH:13]([O:15][CH3:16])[CH3:14])=[C:6]([CH:10]=1)[C:7]([OH:9])=[O:8].O1CCC[CH:18]1CO>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:11][CH2:12][CH:13]2[CH2:14][CH2:18][CH2:16][O:15]2)=[C:6]([CH:10]=1)[C:7]([OH:9])=[O:8] | 2 |
CC1(OB(OC1(C)C)C=1C=C(SC1)C(=O)OC)C.FC(S(=O)(=O)OC1=NN(C2=C1C(=NC=C2)OC)CC2=CC=C(C=C2)OC)(F)F>C([O-])([O-])=O.[Na+].[Na+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>COC1=NC=CC2=C1C(=NN2CC2=CC=C(C=C2)OC)C=2C=C(SC2)C(=O)OC | 3 |
[C:1]([C:3]1[C:4](C2CCC2)=[CH:5][C:6]([CH3:13])=[C:7]([CH:12]=1)[C:8]([O:10][CH3:11])=[O:9])#[N:2].[F:18]C1C(I)=CC(C(OC)=O)=C(C)C=1.C1(C2C(I)=CC(C(OC)=O)=C(C)C=2)CCC1>>[C:1]([C:3]1[C:4]([F:18])=[CH:5][C:6]([CH3:13])=[C:7]([CH:12]=1)[C:8]([O:10][CH3:11])=[O:9])#[N:2] | 1 |
FC=1C(NC(NC1)=O)=O>>FC=1C(NC(N(C1)CO)=O)=O | 5 |
[C:1]([C:3]1[CH:10]=[CH:9][C:6]([CH:7]=O)=[C:5]([S:11][CH2:12][CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH:4]=1)#[N:2].[C:20](=[O:23])([O-])[O-].[NH4+:24].[NH4+:25].[CH2:26]([OH:28])C.O>O>[C:1]([C:3]1[CH:10]=[CH:9][C:6]([CH:7]2[NH:25][C:26](=[O:28])[NH:24][C:20]2=[O:23])=[C:5]([S:11][CH2:12][CH2:13][C:14]... | 1 |
C(C)(C)O.NC1=CC2=C(NC(CCC2(C)C)=O)C=C1.ClC1=NC=C(C(=N1)NC1=C(C=CC=C1)C=1NC=C(N1)C(F)(F)F)Cl>>ClC=1C(=NC(=NC1)NC1=CC2=C(NC(CCC2(C)C)=O)C=C1)NC1=C(C=CC=C1)C=1NC=C(N1)C(F)(F)F | 5 |
BrCCCC(=O)OC(C)(C)C.BrC=1C(=CC(=C(C(=O)N(C2=C(C=CC=C2)C)C)C1)O)Cl>>C(C)(C)(C)OC(CCCOC1=C(C=C(C(=C1)Cl)Br)C(N(C1=C(C=CC=C1)C)C)=O)=O | 5 |
NC1=NC=NC(=C1)C.BrC1=NC=C(C2=C1SC(=N2)C2=C(C=CC=C2F)Cl)F>>ClC1=C(C(=CC=C1)F)C=1SC=2C(=NC=C(C2N1)F)NC1=NC=NC(=C1)C | 5 |
[CH3:1][O:2][C:3]1[CH:10]=[CH:9][C:6]([CH:7]=O)=[CH:5][CH:4]=1.Br[CH2:12][N+:13]([O-:15])=[O:14].[Cl-:16].C[NH2+]C.[F-].[K+]>C1(C)C(C)=CC=CC=1.ClCCl.O>[Cl:16]/[C:12](/[N+:13]([O-:15])=[O:14])=[CH:7]\[C:6]1[CH:9]=[CH:10][C:3]([O:2][CH3:1])=[CH:4][CH:5]=1 | 1 |
[NH2:1][C:2]1[CH2:8][N:7]=[C:6]([C:9]2[C:14]([F:15])=[CH:13][CH:12]=[CH:11][C:10]=2[F:16])[C:5]2[CH:17]=[C:18]([Cl:21])[CH:19]=[CH:20][C:4]=2[N:3]=1.[C:22](OC)(=[O:25])[C:23]#[CH:24]>CO>[Cl:21][C:18]1[CH:19]=[CH:20][C:4]2[N:3]3[CH:24]=[CH:23][C:22](=[O:25])[N:1]=[C:2]3[CH2:8][N:7]=[C:6]([C:9]3[C:14]([F:15])=[CH:13][CH:... | 1 |
[CH:1]1[C:14]2[C:5](=[N:6][C:7]3[C:12]([C:13]=2[C:15]([OH:17])=O)=[CH:11][CH:10]=[CH:9][CH:8]=3)[CH:4]=[CH:3][CH:2]=1.CC(N=C=NC(C)C)C.ON1C2C=CC=CC=2N=N1.[NH2:37][C@H:38]([CH2:42][OH:43])[C@@H:39]([CH3:41])[OH:40]>CN(C)C=O>[OH:43][CH2:42][CH:38]([NH:37][C:15]([C:13]1[C:12]2[C:7]([N:6]=[C:5]3[C:14]=1[CH:1]=[CH:2][CH:3]=[... | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:8]([OH:10])=[O:9])[S:5][C:6]=1Cl.[Li+].C[Si]([N-][Si](C)(C)C)(C)C.C([Li])(C)(C)C.[CH:26](=[O:29])[CH2:27][CH3:28].Cl>C1COCC1>[Cl:1][C:2]1[CH:3]=[C:4]([C:8]([OH:10])=[O:9])[S:5][C:6]=1[CH:26]([OH:29])[CH2:27][CH3:28] | 1 |
CS(O[CH2:6][C@@H:7]([N:10]([CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)[C:11]1[CH:16]=[CH:15][C:14]([C:17]([F:20])([F:19])[F:18])=[CH:13][C:12]=1[N+:21]([O-])=O)[CH2:8][CH3:9])(=O)=O>C1COCC1.[NH4+].[Cl-].[Zn]>[CH2:24]([N:10]1[C:11]2[C:12](=[CH:13][C:14]([C:17]([F:20])([F:19])[F:18])=[CH:15][CH:16]=2)[NH:21][... | 2 |
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