smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)OC(CNS(=O)(=O)C=1SC(=CC1)CCC1CC2=C(N=C(N=C2O)NC(C(C)(C)C)=O)NC1)=O>Cl.[OH-].[Na+]>NC=1N=C(C2=C(N1)NCC(C2)CCC2=CC=C(S2)S(=O)(=O)NCC(=O)O)O | 3 |
C(C)(C)(C)[S@](=O)N[C@@H](C=1C=C(N=NC1Cl)NC(C(C)(C)C)=O)C1CC1>O.Cl>N[C@@H](C=1C=C(N=NC1Cl)N)C1CC1 | 3 |
[CH3:1][O:2][C:3](=[O:30])[CH2:4][C:5]1[CH:6]=[C:7]([C:13]2[CH:18]=[CH:17][C:16]([C:19]([F:22])([F:21])[F:20])=[CH:15][C:14]=2[CH2:23][NH:24][CH2:25][C:26]([CH3:29])([CH3:28])[CH3:27])[C:8]([O:11][CH3:12])=[CH:9][CH:10]=1.[C:31](Cl)(=[O:33])[CH3:32]>>[CH3:1][O:2][C:3](=[O:30])[CH2:4][C:5]1[CH:6]=[C:7]([C:13]2[CH:18]=[C... | 1 |
[O:1]=[C:2]1[CH2:6][CH2:5][C:4]([CH:11]([CH3:13])[CH3:12])([C:7]([O:9]C)=[O:8])[CH2:3]1.Cl>O1CCOCC1>[O:1]=[C:2]1[CH2:6][CH2:5][C:4]([CH:11]([CH3:13])[CH3:12])([C:7]([OH:9])=[O:8])[CH2:3]1 | 2 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8](=O)[CH:9](OCC)OCC)=[CH:4][C:3]=1[F:17].[OH-].[K+].C(=O)(O)O.[NH2:24][NH:25][C:26]([NH2:28])=[NH:27].Cl.C(=O)(O)[O-].[Na+]>C(O)C.O>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:24]=[N:25][C:26]([NH2:28])=[N:27][CH:9]=2)=[CH:4][C:3]=1[F:17] | 1 |
C(C)(C)(C)OC(=O)N1C[C@H]2C[C@@H]([C@H]([C@@H](C1)N2C(=O)OC(C)(C)C)C(N(CC2=C(C(=CC=C2)Cl)Cl)C2CC2)=O)C2=CC=C(C=C2)CCCOC2=C(C(=CC=C2F)F)Cl>ClCCl.Cl>C1(CC1)N(C(=O)[C@H]1[C@H]2CNC[C@@H](C[C@@H]1C1=CC=C(C=C1)CCCOC1=C(C(=CC=C1F)F)Cl)N2)CC2=C(C(=CC=C2)Cl)Cl | 3 |
ClC1=CC(=C(C=C1Cl)[C@@H](C1CCN(CC1)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])N[S@](=O)C(C)(C)C)OCC=C>N(C)(C)C=O.C(O)CN>ClC1=CC(=C(C=C1Cl)[C@@H](C1CCN(CC1)C(=O)NCCO)N[S@](=O)C(C)(C)C)OCC=C | 3 |
[NH2:1][CH2:2][C:3]1[O:7][N:6]=[C:5]([C:8]2[N:9]=[CH:10][N:11]3[C:17]4[CH:18]=[CH:19][C:20]([F:23])=[C:21]([Cl:22])[C:16]=4[C:15](=[O:24])[N:14]4[CH2:25][CH2:26][C@H:13]4[C:12]=23)[N:4]=1.C(N(C(C)C)[CH:30]([CH3:32])[CH3:31])C.[CH2:36](Br)[CH:37]=[CH2:38]>C(Cl)Cl>[CH2:32]([N:1]([CH2:2][C:3]1[O:7][N:6]=[C:5]([C:8]2[N:9]=... | 1 |
C(C)(C)(C)OC(=O)NC=1SC2=C(N1)C(=CC=C2F)B(O)O.BrC1=C(C=C2C(=NC=NC2=C1F)N1CCN(CC1)C(=O)OC(C)(C)C)C#C[Si](C)(C)C>O.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].Cl[Pd]Cl.C(C)(C)(C)P(C1C=CC=C1[Fe]C1C(=CC=C1)P(C(C)(C)C)C(C)(C)C)C(C)(C)C>C(C)(C)(C)OC(=O)NC=1SC2=C(N1)C(=CC=C2F)C2=C(C=C1C(=NC=NC1=C2F)N2CCN(CC2)C(=O)OC(C)(C)C)C... | 3 |
ClC1=NC=C(C(=C1)C)[N+](=O)[O-]>N(C)(C)C=O.CO[H].COC(N(C)C)OC>ClC1=NC=C(C(=C1)/C=C/N(C)C)[N+](=O)[O-] | 3 |
ClCC(=O)Cl.NC1=CC=CC=C1>ClCCl.c1ccncc1>ClCC(=O)NC1=CC=CC=C1 | 3 |
[C:1]([O:5][C:6]([N:8]([CH2:14][C:15]1[CH:26]=[C:25]([O:27][CH3:28])[CH:24]=[CH:23][C:16]=1[CH2:17][CH2:18][C:19]([O:21]C)=[O:20])[CH2:9][C:10]([F:13])([F:12])[F:11])=[O:7])([CH3:4])([CH3:3])[CH3:2].[OH-].[Na+].Cl>O1CCOCC1>[C:1]([O:5][C:6]([N:8]([CH2:14][C:15]1[CH:26]=[C:25]([O:27][CH3:28])[CH:24]=[CH:23][C:16]=1[CH2:1... | 1 |
CS(=O)(=O)Cl.OC(C)C1CCN(CC1)C(=O)OCC1=CC=CC=C1>ClCCl.CCN(CC)CC>CS(=O)(=O)OC(C)C1CCN(CC1)C(=O)OCC1=CC=CC=C1 | 3 |
CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C>O.CCO[H].Cl.[OH-].[Na+]>FC=1C=CC2=C(C(N(CC=3N2C=NC3C(=O)O)C)=O)C1 | 3 |
Cl.[Cl:2][C:3]1[C:4]([CH2:9][NH2:10])=[N:5][CH:6]=[CH:7][N:8]=1.CCN=C=NCCCN(C)C.Cl.C(N(CC)C(C)C)(C)C.ON1C2C=CC=CC=2N=N1.[CH2:42]([O:49][C:50]([NH:52][CH2:53][C@H:54]1[CH2:59][CH2:58][C@H:57]([C:60](O)=[O:61])[CH2:56][CH2:55]1)=[O:51])[C:43]1[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=1>C(Cl)Cl>[CH2:42]([O:49][C:50](=[O:51])[... | 1 |
FC1=C(OC2=NC=NC3=CC(=C4C(=C23)OCCO4)OC)C=CC(=C1)[N+](=O)[O-]>CCO[H].[HH].C(C)(=O)OCC>FC=1C=C(N)C=CC1OC1=NC=NC2=CC(=C3C(=C12)OCCO3)OC | 3 |
CI.NC=1OC2=C3C(=C(C=C2C(C1C#N)C1=CC(=C(C(=C1)OC)OC)Br)O)C=CC=C3>CC#N.C([O-])([O-])=O.[K+].[K+]>NC=1OC2=C3C(=C(C=C2C(C1C#N)C1=CC(=C(C(=C1)OC)OC)Br)OC)C=CC=C3 | 3 |
BrCCO.N1N=CC(=C1)C1=CC2=C(C=3N=C(SC3CCO2)C=2N(N=CN2)CC(F)(F)F)C=C1>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>FC(CN1N=CN=C1C=1SC=2CCOC3=C(C2N1)C=CC(=C3)C=3C=NN(C3)CCO)(F)F | 3 |
Br[CH:2]1[CH2:10][C:9]2[C:4](=[CH:5][C:6]([N+:11]([O-:13])=[O:12])=[CH:7][CH:8]=2)[C:3]1=[O:14].[NH2:15][C:16]([NH2:18])=[S:17]>CC(C)=O>[NH2:18][C:16]1[S:17][CH:2]2[CH2:10][C:9]3[CH:8]=[CH:7][C:6]([N+:11]([O-:13])=[O:12])=[CH:5][C:4]=3[C:3]2([OH:14])[N:15]=1 | 1 |
BrCC1=C(C=C(C(N1CCC1=CC=C(C(=O)OC(C)(C)C)C=C1)=O)Cl)Cl.C(CC)C1CCNCC1>>ClC=1C(N(C(=C(C1)Cl)CN1CCC(CC1)CCC)CCC1=CC=C(C(=O)OC(C)(C)C)C=C1)=O | 5 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C1=NC(=NC(=N1)Cl)C1=CSC=C1>>C(C)(C)(C)OC(=O)N1CCN(CC1)C1=NC=NC(=N1)C1=CSC=C1 | 5 |
C(OP([CH2:9][S:10]([C:13]1[CH:18]=[CH:17][C:16]([F:19])=[CH:15][C:14]=1[F:20])(=[O:12])=[O:11])(=O)OCC)C.[CH:21]1([NH:26][C:27]2[C:32]([CH:33]=O)=[CH:31][N:30]=[C:29]([S:35][CH3:36])[N:28]=2)[CH2:25][CH2:24][CH2:23][CH2:22]1>>[CH:21]1([NH:26][C:27]2[C:32]([CH:33]=[CH:9][S:10]([C:13]3[CH:18]=[CH:17][C:16]([F:19])=[CH:15... | 2 |
C([NH:4][C:5]1[CH:10]=[C:9]([Cl:11])[C:8]([N+:12]([O-:14])=[O:13])=[CH:7][C:6]=1[O:15][CH3:16])(=O)C>[OH-].[K+]>[NH2:4][C:5]1[CH:10]=[C:9]([Cl:11])[C:8]([N+:12]([O-:14])=[O:13])=[CH:7][C:6]=1[O:15][CH3:16] | 1 |
[C:1]([C@@H:3]1[CH2:8][CH2:7][CH2:6][CH2:5][C@H:4]1[NH:9][C:10](=[O:16])[O:11][C:12]([CH3:15])([CH3:14])[CH3:13])#[N:2]>CCO.[Ni]>[NH2:2][CH2:1][C@@H:3]1[CH2:8][CH2:7][CH2:6][CH2:5][C@H:4]1[NH:9][C:10](=[O:16])[O:11][C:12]([CH3:14])([CH3:13])[CH3:15] | 1 |
[CH2:1]([N:8]1[CH2:13][C:12](C)([C:14](OC)=O)[C:11](=[O:19])[C:10](C)([C:20](OC)=O)[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.[OH-].[Na+]>>[CH2:1]([N:8]1[CH2:13][C@H:12]([CH3:14])[C:11](=[O:19])[C@H:10]([CH3:20])[CH2:9]1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
[NH:1]1[CH2:4][CH:3]([NH:5][C:6]2[CH:7]=[CH:8][C:9]3[O:18][CH2:17][CH2:16][C:15]4[CH:14]=[C:13]([C:19]5[N:20]([C:24]6[CH:29]=[CH:28][C:27]([F:30])=[CH:26][C:25]=6[F:31])[N:21]=[CH:22][N:23]=5)[S:12][C:11]=4[C:10]=3[N:32]=2)[CH2:2]1.[CH3:33][S:34](Cl)(=[O:36])=[O:35].CCN(C(C)C)C(C)C.O>C1COCC1>[F:31][C:25]1[CH:26]=[C:27]... | 1 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH2:9][OH:10])=[CH:4][CH:3]=1.[Br:11][C:12]1[CH:13]=[N:14][C:15](Cl)=[N:16][CH:17]=1.[I-].[Na+].C(N(C(C)C)CC)(C)C>C(O)CCC.O>[Br:11][C:12]1[CH:13]=[N:14][C:15]([NH:1][C:2]2[CH:7]=[CH:6][C:5]([CH2:8][CH2:9][OH:10])=[CH:4][CH:3]=2)=[N:16][CH:17]=1 | 1 |
[CH3:1][O:2][C:3]([NH:5][C@H:6]([C:20]([NH:22][CH2:23][CH2:24][C:25]([F:47])([F:46])[CH2:26][C@@H:27]([C:41]([O:43][CH2:44][CH3:45])=[O:42])[NH:28][S:29]([C:32]1[CH:37]=[CH:36][C:35]([N+:38]([O-:40])=[O:39])=[CH:34][CH:33]=1)(=[O:31])=[O:30])=[O:21])[CH:7]([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)[C:8]1[CH:13]=[C... | 1 |
C(C)N1CCNCC1.ClC1=CC=C(C(C2=CC=C(C=C2)Cl)Cl)C=C1>C1CCCO1.C([O-])([O-])=O.[K+].[K+].[I-].C(CCC)[N+](CCCC)(CCCC)CCCC>ClC1=CC=C(C=C1)C(N1CCN(CC1)CC)C1=CC=C(C=C1)Cl | 3 |
ClC1=C(C(=CC=C1)Cl)C(=O)C1=NC=C2N1C=CC=N2>ClCCl.BrN1C(CCC1=O)=O>BrC=1N=C(N2C1N=CC=C2)C(=O)C2=C(C=CC=C2Cl)Cl | 3 |
[CH:1]1([CH2:6][C@H:7]([NH:12][C:13](=[O:19])[O:14][C:15]([CH3:18])([CH3:17])[CH3:16])[C:8](=[O:11])[CH:9]=[CH2:10])[CH2:5][CH2:4][CH2:3][CH2:2]1.[OH2:20]>CN(C=O)C>[CH:1]1([CH2:6][C@H:7]([NH:12][C:13](=[O:19])[O:14][C:15]([CH3:18])([CH3:17])[CH3:16])[C:8]([C@H:9]2[CH2:10][O:20]2)=[O:11])[CH2:2][CH2:3][CH2:4][CH2:5]1 | 1 |
[O:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C:6]([OH:8])=[O:7].[CH3:9]O>>[CH3:9][O:7][C:6]([C:2]1[O:1][CH:5]=[CH:4][CH:3]=1)=[O:8] | 1 |
F[C:2]1[CH:3]=C(C(N2CC(C)(C)C3C4C=CC=CC=4NC=3C(C(OC(C)CO)=O)=C2)=O)C=C[C:7]=1F.[Br:34][CH2:35][C:36](=[O:40])[C:37]([OH:39])=[O:38].[C:41]([O:45]CC(O)C)([CH3:44])([CH3:43])[CH3:42].ClC(OC)OC>>[CH3:7][CH:2]([CH:35]([Br:34])[C:36](=[O:40])[C:37]([O:39][O:45][C:41]([CH3:44])([CH3:43])[CH3:42])=[O:38])[CH3:3] | 2 |
FC1=C(C=CC(=C1)F)C1=CC(=C(C(C(=O)O)=C1)O)I>ClS(Cl)=O.CCO[H]>FC1=C(C=CC(=C1)F)C1=CC(=C(C(C(=O)OCC)=C1)O)I | 3 |
NCCCN1CCCCC1.BrC=1C(=NC=C(N1)Br)N>>BrC1=CN=C(C(=N1)NCCCN1CCCCC1)N | 3 |
CC(=CC1=C2C=C(N(C2=CC=C1)C(=O)OC(C)(C)C)CN1C(C(=CC=C1)[N+](=O)[O-])=O)C>CO[H].[HH].[Pd]>NC=1C(N(C=CC1)CC=1N(C2=CC=CC(=C2C1)CC(C)C)C(=O)OC(C)(C)C)=O | 3 |
Br[C:2]1[CH:3]=[N:4][CH:5]=[C:6]([N+:9]([O-:11])=[O:10])[C:7]=1[NH2:8].[CH3:12][N:13]1[CH2:18][CH2:17][NH:16][CH2:15][CH2:14]1>CCOC(C)=O.O>[CH3:12][N:13]1[CH2:18][CH2:17][N:16]([C:2]2[CH:3]=[N:4][CH:5]=[C:6]([N+:9]([O-:11])=[O:10])[C:7]=2[NH2:8])[CH2:15][CH2:14]1 | 1 |
O=C1[C@H]2N(C(CN1)=O)[C@H](CCC2)C(=O)OC>>C1[C@H]2N(CCN1)[C@H](CCC2)CO | 5 |
C1(CCCC1)CC(=O)NC1=C(C(=CC=C1OC)[N+](=O)[O-])C>>NC=1C(=C(C(=CC1)OC)NC(CC1CCCC1)=O)C | 5 |
[CH3:1][C@@H:2]1[CH2:7][CH2:6][CH2:5][NH:4][C@@H:3]1[CH2:8][N:9]1[C:17](=[O:18])[C:16]2[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=2)[C:10]1=[O:19].[CH3:20][C:21]1[CH:22]=[CH:23][C:24]([C:30]2[CH:31]=[N:32][N:33]([CH3:35])[CH:34]=2)=[C:25]([CH:29]=1)[C:26](O)=[O:27].C(N(C(C)C)CC)(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-]... | 1 |
ClC1=NC=C2C=C([N+](=CC2=C1)[O-])C1=CC(=CC(=C1)OC)OC>ClCCl.P(Cl)(Cl)Cl>ClC=1N=CC2=CC(=NC=C2C1)C1=CC(=CC(=C1)OC)OC | 3 |
FC(S(=O)(=O)N(S(=O)(=O)C(F)(F)F)C1=NC=CC=C1)(F)F.C(C)(C)C1CCC(CC1)=O>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+]>FC(S(=O)(=O)OC1=CCC(CC1)C(C)C)(F)F | 3 |
C[Si](C)(C)[N-][Si](C)(C)C.[Li+].C1CCOC1.[N+](=O)([O-])C1=CC=C(COC(=O)NCCSC=2N=CN3C2SC=C3)C=C1>>[N+](=O)([O-])C1=CC=C(COC(=O)NCCSC=2N=CN3C2SC(=C3)[Sn](CCCC)(CCCC)CCCC)C=C1 | 5 |
C1(CC1)N.C(C)(C)(C)OC(=O)N[C@H](C(C(=O)O)(OCC)OCC)CCC>>C1(CC1)NC(C([C@H](CCC)NC(OC(C)(C)C)=O)(OCC)OCC)=O | 5 |
[Si](C)(C)(C(C)(C)C)OCC=1C=2N(C(=CC1)I)N=C(C2)C(F)(F)F>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>FC(C1=NN2C(C(=CC=C2I)CO)=C1)(F)F | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][C:11]2[N:14]([CH3:24])[C:15]([C:17]3[CH:22]=[CH:21][N:20]=[C:19](Cl)[CH:18]=3)=[CH:16][C:10]=2[C:9]1=[O:25])=[O:7])([CH3:4])([CH3:3])[CH3:2].[C:26](=[O:36])([O:28][CH2:29][C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1)[NH2:27].CC1(C)C2C(=C(P(C3C=CC=CC=3)C3C=CC=CC=3)C=CC=2)OC2C(P(... | 2 |
[C:1]1([C:11](Cl)=[O:12])[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1.Cl.[CH3:15][NH:16][O:17][CH3:18].C(N(CC)CC)C>C(Cl)Cl>[CH3:18][O:17][N:16]([CH3:15])[C:11]([C:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1)=[O:12] | 2 |
[CH3:1][O:2][C:3](=[O:35])[N:4]([CH2:20][C:21]1[CH:26]=[C:25]([C:27]([F:30])([F:29])[F:28])[CH:24]=[C:23]([C:31]([F:34])([F:33])[F:32])[CH:22]=1)[C@H:5]1[C:14]2[C:9](=[CH:10][CH:11]=[C:12]([C:15]([F:18])([F:17])[F:16])[CH:13]=2)[NH:8][C@@H:7]([CH3:19])[CH2:6]1.N1C=CC=CC=1.Cl[C:43]([O:45][CH:46]([CH3:48])[CH3:47])=[O:44... | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][NH:11][CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[C:14]1([N:20]=[C:21]=[O:22])[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1>C1COCC1.C(OC(=O)C)C>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:21](=[O:22])[NH:20][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH2:10][CH2:9]1)=[O... | 2 |
[Br:1][CH:2]([C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)[C:3]([OH:5])=[O:4].[C:12]1([C@@H:18](O)[CH3:19])[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.CCN=C=NCCCN(C)C>CN(C1C=CN=CC=1)C.C(Cl)Cl.C(OCC)(=O)C>[Br:1][CH:2]([C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)[C:3]([O:5][C@H:18]([C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1... | 1 |
Cl[CH2:2][C:3]1[N:12]=[C:11]([NH:13][C@@H:14]([CH:18]([CH3:20])[CH3:19])[C:15]([NH2:17])=[O:16])[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[N:4]=1.[CH2:21]([NH:28][CH2:29][C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1)[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1.C(=O)([O-])[O-].[K+].[K+]>C(#N)C>[CH2:29]([N:28]([CH2:2]... | 2 |
FC(COS(=O)(=O)C(F)(F)F)(F)F.ClC1=NC=CC(=C1)OC1CC(C1)O>>ClC1=NC=CC(=C1)OC1CC(C1)OCC(F)(F)F | 5 |
C(C1=CC=CC=C1)OC1=CC=C(C=C1)S(=O)(=O)Cl.O1COCC(C1)OC(N[C@H]([C@@H](CNCC(CCC#N)(C)C)O)CC1=CC=CC=C1)=O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>O1COCC(C1)OC(N[C@H]([C@@H](CN(S(=O)(=O)C1=CC=C(C=C1)OCC1=CC=CC=C1)CC(CCC#N)(C)C)O)CC1=CC=CC=C1)=O | 3 |
FC=1C(=NC=C(C1)B1OC(C(O1)(C)C)(C)C)O[C@@H](C(F)(F)F)C.BrC=1C=CC=2N(C1)C(=NN2)C(F)F>O.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].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]>FC(C1=NN=C2N1C=C(C=C2)C=2C=NC(=C(C2)F)O[C@@H](C(F)(F)F)C)F | 3 |
C(C)(C)(C)OC(=O)N1CCC2=C(CC1)C=CC(=C2)O>>C(C)(C)(C)OC(=O)N1CCC2=C(CC1)C=CC(=C2)OS(=O)(=O)C(F)(F)F | 5 |
BrC1=CC=C(C=C1)C.C(C1=CC=CC=C1)OC1=C(C=C(C=O)C=C1)OC>C(CCC)[Li]>C(C1=CC=CC=C1)OC1=C(C=C(C(C2=CC=C(C=C2)C)O)C=C1)OC | 3 |
C(=O)([O-])[O-].[K+].[K+].[CH3:7][C:8]([CH3:12])=[CH:9][CH2:10]Br.[NH2:13][CH2:14][C:15]1[O:19][N:18]=[C:17]([C:20]2[N:21]=[CH:22][N:23]3[C:29]4[CH:30]=[CH:31][S:32][C:28]=4[C:27](=[O:33])[N:26]4[CH2:34][CH2:35][C@H:25]4[C:24]=23)[N:16]=1>CN(C)C=O>[CH3:7][C:8]([CH3:12])=[CH:9][CH2:10][C:14]([CH2:10][CH:9]=[C:8]([CH3:12... | 1 |
[CH:1]1[CH:2]=[CH:3][C:4]2[S:14][C:13]3[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=3[N:7]([CH2:15][C:16]34[CH2:23][CH2:22][N:19]([CH2:20][CH2:21]3)[CH2:18][CH2:17]4)[C:5]=2[CH:6]=1.[CH2:24]([OH:100])[C@H:25]1[O:30][C@@H:29]2[O:31][C@H:32]3[C@H:37]([OH:38])[C@@H:36]([OH:39])[C@@H:35]([O:40][C@H:41]4[C@H:46]([OH:47])[C@@H:45]([OH... | 1 |
CC1(OB(OC1(C)C)C1=C2C=CNC2=CC=C1)C.BrC1=CC(=C2C=NN(C2=C1)C)C=1OC(=NN1)CN1C[C@H](O[C@H](C1)C)C>>C[C@@H]1CN(C[C@@H](O1)C)CC1=NN=C(O1)C1=C2C=NN(C2=CC(=C1)C1=C2C=CNC2=CC=C1)C | 5 |
C(C)OC(CN1N=CC(=C1)B1OC(C(O1)(C)C)(C)C)=O>>CN(CCNC(CN1N=CC(=C1)B1OC(C(O1)(C)C)(C)C)=O)C | 5 |
[CH3:1][O:2][C:3]1[C:4]2[N:17]=[C:16]([NH2:18])[S:15][C:5]=2[C:6]([N:9]2[CH2:14][CH2:13][O:12][CH2:11][CH2:10]2)=[N:7][CH:8]=1.Cl[CH2:20][C:21](Cl)=[O:22].C(N(C(C)C)C(C)C)C.[NH:33]1[CH2:38][CH2:37][O:36][CH2:35][CH2:34]1>ClCCCl.C1COCC1>[CH3:1][O:2][C:3]1[C:4]2[N:17]=[C:16]([NH:18][C:21](=[O:22])[CH2:20][N:33]3[CH2:38][... | 1 |
COC[C@@H](C)N.C(#N)C1=CC=2N(N=C1)C(=CC2)C2=CC(=C(C=N2)C2=NN=C(S2)N2CC1CCC(C2)N1C(=O)OC(C)(C)C)F>O.CS(=O)C.C(C)(C)N(C(C)C)CC>C12CN(CC(CC1)N2)C2=NN=C(S2)C=2C(=CC(=NC2)C2=CC=C1N2N=CC(=C1)C#N)N[C@@H](COC)C | 3 |
[CH:1]1([CH:7]([NH:19][C:20]2[CH:25]=[CH:24][C:23]([C:26]([N:28]([CH3:36])[CH2:29][CH2:30][C:31]([O:33][CH2:34][CH3:35])=[O:32])=[O:27])=[CH:22][CH:21]=2)[C:8]2[O:9][C:10]3[CH:17]=[CH:16][C:15]([OH:18])=[CH:14][C:11]=3[C:12]=2[CH3:13])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[S:37]1[CH2:42][CH2:41][CH:40](O)[CH2:39][CH2:38... | 1 |
[OH:1][C:2]([CH:4]([C:6]1[CH:19]=[CH:18][CH:17]=[C:8]([C:9]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)=[O:10])[CH:7]=1)[CH3:5])=[O:3].[NH:20]1[CH:24]=[CH:23][N:22]=[CH:21]1.[CH:25]1[N:29]([CH2:30][O:31][CH2:32][CH2:33][OH:34])[C:28]2[N:35]=[C:36]([NH2:40])[N:37]=[C:38]([OH:39])[C:27]=2[N:26]=1>O>[CH:25]1[N:29]([CH... | 2 |
[Si:1](Cl)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].[CH3:9][C:10]1[N:11]=[C:12]([C:21]2[CH:26]=[CH:25][C:24]([C:27]([F:30])([F:29])[F:28])=[CH:23][CH:22]=2)[S:13][C:14]=1[CH:15]([OH:20])[CH2:16][CH2:17][CH2:18][OH:19]>N1C=CC=CC=1>[C:4]([Si:1]([CH3:3])([CH3:2])[O:19][CH2:18][CH2:17][CH2:16][CH:15]([C:14]1[S:13][C... | 1 |
[I:1][C:2]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:3]=1[CH2:4][CH2:5][N:6]1[C:16](=[O:17])[CH2:15][NH:14][C:13](=[O:18])[CH2:12][CH:7]12.CCN(CC)CC.C(P1(=O)OP(CCC)(=O)OP(CCC)(=O)O1)CC>CN(C=O)C.CCOC(C)=O.C([O-])(O)=O.[Na+].CO>[I:1][C:2]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:3]=1[CH2:4][CH2:5][N:6]1[C:16](=[O:17])[CH2:15][NH:14][C:13](=[... | 2 |
[Cl-].[Al+3].[Cl-].[Cl-].[CH:5]1[CH2:10][CH2:9][CH2:8][CH2:7][CH:6]=1.[O:11]=[CH:12][C:13]([Cl:16])([Cl:15])[Cl:14].Cl>>[CH:5]1([CH:12]([OH:11])[C:13]([Cl:16])([Cl:15])[Cl:14])[CH2:10][CH2:9][CH2:8][CH:7]=[CH:6]1 | 1 |
CS(=O)(=O)Cl.OCCC1=CC=C(OCCOCC=2C=C(C#N)C=CC2)C=C1>ClCCl.C(C)(C)N(C(C)C)CC>CS(=O)(=O)OCCC1=CC=C(C=C1)OCCOCC1=CC(=CC=C1)C#N | 3 |
Cl[C:2]1[CH:7]=[C:6]([C:8]#[N:9])[CH:5]=[C:4]([N:10]([CH3:12])[CH3:11])[N:3]=1.[F:13][C:14]([F:25])([F:24])[C:15]1[CH:20]=[CH:19][C:18](B(O)O)=[CH:17][CH:16]=1.C(=O)([O-])[O-].[Cs+].[Cs+].CC(C1C=C(C(C)C)C(C2C=CC=CC=2P(C2CCCCC2)C2CCCCC2)=C(C(C)C)C=1)C>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.O1CCOCC1>[CH3:11][N:10]([C:4]1[CH:5]... | 1 |
C(C)(=O)NC1=CC=C(S(=O)(=O)Cl)C=C1>c1ccncc1.C(C)NCC>NC1=CC=C(C=C1)S(=O)(=O)N(CC)CC | 3 |
C(#CC)[Mg]Br.O=C1N(CCN(C1)S(=O)(=O)C=1SC=CC1)C(=O)OC(C)(C)C>C1CCCO1>O=C(CN(CCNC(OC(C)(C)C)=O)S(=O)(=O)C=1SC=CC1)C#CC | 3 |
CI.C1=NC=CC2=C(C=CC=C12)CC(=O)OCC>>C1=NC=CC2=C(C=CC=C12)C(C(=O)OCC)C | 5 |
[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][C:6]1[C:14]2[C:9](=[CH:10][CH:11]=[C:12]([NH:15][C:16]([NH2:18])=[O:17])[CH:13]=2)[NH:8][CH:7]=1.[C:19]1([N:25]2[CH2:30][CH2:29][NH:28][CH2:27][CH2:26]2)[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1>C(#N)C>[ClH:1].[C:19]1([N:25]2[CH2:30][CH2:29][N:28]([CH2:2][CH2:3][CH2:4][CH2:5][C:6]3[C:14... | 1 |
[NH2:1][C:2]1[CH:11]=[C:10]2[C:5]([CH:6]=[CH:7][CH:8]=[C:9]2[N:12]2[CH2:17][CH2:16][N:15]([CH3:18])[CH2:14][CH2:13]2)=[CH:4][CH:3]=1.[N+:19]([C:22]1[CH:23]=[CH:24][C:25](Cl)=[N:26][CH:27]=1)([O-:21])=[O:20]>CN(C)C1C=CN=CC=1.CN(C=O)C>[N+:19]([C:22]1[CH:23]=[CH:24][C:25]([NH:1][C:2]2[CH:11]=[C:10]3[C:5]([CH:6]=[CH:7][CH:... | 1 |
Cl[C:2](OC1C=CC([N+]([O-])=O)=CC=1)=[O:3].[Br:14][C:15]1[CH:21]=[CH:20][C:18]([NH2:19])=[CH:17][C:16]=1[C:22]([F:25])([F:24])[F:23].N1C=CC=CC=1.[NH2:32][CH2:33][CH2:34][OH:35].C(N(CC)CC)C.Cl>C(Cl)Cl>[Br:14][C:15]1[CH:21]=[CH:20][C:18]([NH:19][C:2]([NH:32][CH2:33][CH2:34][OH:35])=[O:3])=[CH:17][C:16]=1[C:22]([F:23])([F:... | 1 |
IC=1C=C(C(=O)O)C=CC1C>S(O)(O)(=O)=O>COC(C1=CC(=C(C=C1)C)I)=O | 3 |
[CH2:1]([C:3]1[N:11]([CH3:12])[C:10]2[C:9](=[O:13])[NH:8][C:7](=[O:14])[N:6]([CH2:15][CH2:16][CH3:17])[C:5]=2[N:4]=1)[CH3:2].C([O-])([O-])=O.[Cs+].[Cs+].[Cl:24][C:25]1[CH:32]=[CH:31][C:28]([CH2:29]Br)=[CH:27][CH:26]=1.O>CN(C=O)C.[I-].C([N+](CCCC)(CCCC)CCCC)CCC>[Cl:24][C:25]1[CH:32]=[CH:31][C:28]([CH2:29][N:8]2[C:9](=[O... | 2 |
[C:1]([O:9][C@@H:10]([CH2:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)[C:11](=[O:18])[CH2:12][CH:13]([CH3:17])[C:14](O)=[O:15])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.[NH:27]1[CH2:41][CH2:40][CH2:39][C@H:28]1[C:29]([O:31][CH2:32][C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)=[O:30].O.ON1C2C=CC=CC=2N=... | 1 |
C(=O)CCCC=O.[C:8]([O-:15])(=[O:14])/[CH:9]=[CH:10]/[C:11]([O-:13])=[O:12].[NH4+:16].[NH4+].[Cl-].[Mg+2].[Cl-]>P([O-])([O-])([O-])=O>[NH2:16][C@H:9]([C:8]([OH:15])=[O:14])[CH2:10][C:11]([OH:13])=[O:12] | 1 |
Cl([O-])=O.[Na+].P([O-])(O)(O)=[O:6].[Na+].CC(=CC)C.[C:16]([O:20][C:21]([N:23]1[CH2:28][CH2:27][CH:26]([O:29][C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=2[CH:36]=[O:37])[CH:25]([F:38])[CH2:24]1)=[O:22])([CH3:19])([CH3:18])[CH3:17]>O.O1CCOCC1>[C:16]([O:20][C:21]([N:23]1[CH2:28][CH2:27][CH:26]([O:29][C:30]2[CH:35]=[CH:34... | 1 |
ClC=1C=C(C=C(C1OCC1CC1)C1=CC=C(C=C1)C(F)(F)F)C(C(=O)OCC)CC1CC1>O.C1CCCO1.CO[H].O[Li].O>ClC=1C=C(C=C(C1OCC1CC1)C1=CC=C(C=C1)C(F)(F)F)C(C(=O)O)CC1CC1 | 3 |
ClC1=CC2=C(C=C1)OCC1=C2N(N=C1C(=O)N(CC1=C(C=CC=C1)F)CC(=O)O)C.Cl.NCC(C(F)(F)F)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=CC2=C(C=C1)OCC1=C2N(N=C1C(=O)N(CC(NCC(C(F)(F)F)O)=O)CC1=C(C=CC=C1)F)C | 3 |
N1CCSCC1.ClC1=NC=NC2=CC(=CC=C12)C(=O)OC>CO[H]>S1CCN(CC1)C1=NC=NC2=CC(=CC=C12)C(=O)OC | 3 |
FC(CS(=O)(=O)Cl)(F)F.NC1=CC=C(C=C1)C1=NN(C(=C1C(=O)N)NC1=NC(=CC=C1)C#N)C(C)(C)C>ClCCl.c1ccncc1>C(C)(C)(C)N1N=C(C(=C1NC1=NC(=CC=C1)C#N)C(=O)N)C1=CC=C(C=C1)NS(=O)(=O)CC(F)(F)F | 3 |
FC(CO)(F)F.BrC=1C=NC=C(C1)Br>N(C)(C)C=O.[H-].[Na+]>BrC=1C=NC=C(C1)OCC(F)(F)F | 3 |
CN(C(OC(C)(C)C)=O)CCN(CC1=NN(C2=CC=C(C=C12)OC1=CC=C(C=C1)[N+](=O)[O-])C1OCCCC1)C>CO[H].[HH].[Ni]>NC1=CC=C(OC=2C=C3C(=NN(C3=CC2)C2OCCCC2)CN(CCN(C(OC(C)(C)C)=O)C)C)C=C1 | 3 |
[NH2:1][C:2]1[CH:3]=[C:4]([C:8]([CH2:13][CH3:14])([CH2:11][CH3:12])[C:9]#[N:10])[CH:5]=[CH:6][CH:7]=1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>O1CCCC1>[NH2:10][CH2:9][C:8]([C:4]1[CH:3]=[C:2]([CH:7]=[CH:6][CH:5]=1)[NH2:1])([CH2:11][CH3:12])[CH2:13][CH3:14] | 1 |
COC=1C=C(C=CC1)CCNC(=O)C1CCN(CC1)C(C(F)(F)F)=O>>FC(C(=O)N1CCC(CC1)C1=NCCC2=CC(=CC=C12)OC)(F)F | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2[CH:21]=[CH:20][C:12]([C:13]([NH:15][S:16]([CH3:19])(=[O:18])=[O:17])=[O:14])=[CH:11][C:10]=2[O:22][CH:23](F)F)[CH:5]=[N:6][C:7]=1F.C(N(CC)CC)C.[CH:33]([CH:36]1[CH2:40][CH2:39][CH2:38][NH:37]1)([CH3:35])[CH3:34]>CS(C)=O>[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2[CH:21]=[CH:20][C:12]([C:13]([NH:15][S... | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH2:10][CH2:11][NH:12][C:13]2[N:18]=[CH:17][C:16]([CH2:19][CH3:20])=[CH:15][N:14]=2)[CH:5]=[CH:6][C:7]=1[O:8]C.[F:21][C:22]([F:33])([F:32])[O:23][C:24]1[CH:25]=[C:26]([CH:29]=[CH:30][CH:31]=1)[CH2:27]Br>>[Cl:1][C:2]1[CH:3]=[C:4]([CH2:10][CH2:11][N:12]([C:13]2[N:18]=[CH:17][C:16]([CH2:19][CH3:2... | 1 |
CC1(OC(C(C(O1)=O)=COC)=O)C.NC1=CC(=C(C=C1)OC)Br>>BrC=1C=C(C=CC1OC)NC=C1C(OC(OC1=O)(C)C)=O | 5 |
[F:1][C:2]1[CH:3]=[CH:4][C:5]([N:8]2[C:17]3[C:12](=[CH:13][C:14]([F:24])=[C:15]([N:18]4[CH2:23][CH2:22][NH:21][CH2:20][CH2:19]4)[N:16]=3)[C:11](=[O:25])[C:10]([C:26]([O:28]CC)=[O:27])=[CH:9]2)=[N:6][CH:7]=1.[ClH:31]>O>[ClH:31].[F:1][C:2]1[CH:3]=[CH:4][C:5]([N:8]2[C:17]3[C:12](=[CH:13][C:14]([F:24])=[C:15]([N:18]4[CH2:1... | 1 |
BrC1=CC=C(C=C1)CC.BrC=1C=C(C=O)C=CC1OCC>C1CCCO1.[Mg]>BrC=1C=C(C=CC1OCC)C(O)C1=CC=C(C=C1)CC | 3 |
FC(CN)F.C[C@H]1COCCN1C=1C2=C(N=C(N1)C1=CC=C(N)C=C1)CN(CC2)C2=NC=CC=N2>>FC(CNC(=O)NC1=CC=C(C=C1)C=1N=C(C2=C(N1)CN(CC2)C2=NC=CC=N2)N2[C@H](COCC2)C)F | 5 |
[CH3:1][O:2][CH2:3][C:4]1[C:8]([C:9]([O:11][CH3:12])=[O:10])=[CH:7][NH:6][N:5]=1.Cl[C:14]1[CH:19]=[CH:18][CH:17]=[C:16]([C:20]([F:23])([F:22])[F:21])[N:15]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O>[CH3:1][O:2][CH2:3][C:4]1[C:8]([C:9]([O:11][CH3:12])=[O:10])=[CH:7][N:6]([C:14]2[CH:19]=[CH:18][CH:17]=[C:16]([C:20]([F:23])([F... | 1 |
[CH3:1][O:2][C:3]1[CH:17]=[C:16]([N+:18]([O-])=O)[CH:15]=[CH:14][C:4]=1[O:5][CH2:6][CH2:7][N:8]1[CH2:12][CH2:11][CH:10]([OH:13])[CH2:9]1>CCOC(C)=O.[Pd]>[NH2:18][C:16]1[CH:15]=[CH:14][C:4]([O:5][CH2:6][CH2:7][N:8]2[CH2:12][CH2:11][CH:10]([OH:13])[CH2:9]2)=[C:3]([O:2][CH3:1])[CH:17]=1 | 1 |
IC1=CC(=CC=C1)N=O>[Cu]I.N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+].N1[C@H](C(=O)O)CCC1.Cl.N=C(C)N>N(=O)C=1C=C(N)C=CC1 | 3 |
C1(CCC1)COC=1C=2N(C=CN1)C(=C(N2)C)C(=O)OCC>ClCCl.[OH-].[Na+].O1CCOCC1>C1(CCC1)COC=1C=2N(C=CN1)C(=C(N2)C)C(=O)O | 3 |
C(C)OC(CC1(CCCCC1)C#N)OCC>O.CCO[H].[Na]>NCC1(CCCCC1)CC(OCC)OCC | 3 |
ClC1=NC(=CC=C1Cl)OC>S(O)(O)(=O)=O.ClCCl.C(C)(=O)O.IN1C(CCC1=O)=O>ClC1=NC(=C(C=C1Cl)I)OC | 3 |
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