smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
Cl.N1=C(C=CC=C1)CCl.CN(C[C@H](OC1=C2C(=NC=NC2=CC=C1)NC1=CC(=C(C=C1)O)C)C)C>>CN(C[C@H](OC1=C2C(=NC=NC2=CC=C1)NC1=CC(=C(C=C1)OCC1=NC=CC=C1)C)C)C | 5 |
OC(C)C=1C=C2N=CC=NC2=CC1>ClCCl.ClS(Cl)=O>ClC(C)C=1C=C2N=CC=NC2=CC1 | 3 |
C(C)(=O)OC(C)=O.NC1=CC(=C(C#N)C=C1C)CC>C(Cl)(Cl)(Cl)[H].N(=O)OC(C)(C)C.C(O)([O-])=O.[Na+].C(C)(=O)[O-].[K+].C1COCCOCCOCCOCCOCCO1>C(C)(=O)N1N=CC2=CC(=C(C=C12)CC)C#N | 3 |
C(C=C)Br.OC=1C=C2C=CC=NC2=CC1>>C(C=C)OC=1C=C2C=CC=NC2=CC1 | 5 |
[OH:1][N:2]=[C:3]([Cl:14])[C@H:4]1[CH2:8][O:7][C:6]2([CH2:13][CH2:12][CH2:11][CH2:10][CH2:9]2)[O:5]1.[CH3:15][S:16](Cl)(=[O:18])=[O:17].C(NC(C)CC(C)C)C>C1COCC1>[CH3:15][S:16]([O:1][N:2]=[C:3]([Cl:14])[C@H:4]1[CH2:8][O:7][C:6]2([CH2:13][CH2:12][CH2:11][CH2:10][CH2:9]2)[O:5]1)(=[O:18])=[O:17] | 1 |
C(C)(C)(C)NC(=O)C1=CN(C=2C1=NC(=CN2)C2=NNC1=C(C=CC=C21)CC)COCC[Si](C)(C)C>>C(C)(C)(C)NC(=O)C1=CNC=2C1=NC(=CN2)C2=NNC1=C(C=CC=C21)CC | 5 |
[C:1]1([OH:8])[C:5](=O)[C:3](=[O:4])[C:2]=1[OH:7].[CH3:9][C:10]([C:13]1[O:14][C:15]([C:28]([CH3:31])([CH3:30])[CH3:29])=[CH:16][C:17](=[CH:19]C2C(Cl)(Cl)C(=O)C=2Cl)[CH:18]=1)([CH3:12])[CH3:11]>OS(C(F)(F)F)(=O)=O>[CH3:12][C:10]([C:13]1[O:14][C:15]([C:28]([CH3:31])([CH3:30])[CH3:29])=[CH:16][C:17](=[CH:19][C:5]2[C:3](=[O... | 1 |
Cl(=O)(=O)(=O)[O-].C1=CC=CC2=[NH+]C=C3C=CC=CC3=C12.C1(=CC=CC=C1)C(=CC(C)=O)C>CO[H]>Cl(=O)(=O)(=O)[O-].CC1=CC(=CC2=[N+]1C=1C=CC=CC1C1=CC=CC=C21)C2=CC=CC=C2 | 3 |
[N+](=O)([O-])C1=C(C(=O)O)C=CC(=C1)N>O.S(O)(O)(=O)=O.N(=O)[O-].[Na+]>OC1=CC(=C(C(=O)O)C=C1)[N+](=O)[O-] | 3 |
C1=CC(=CC=C1O)C.BrC=1C=CC2=C(N=C(O2)\C=C\C2=CC=CC=C2)C1>c1ccncc1.C([O-])([O-])=O.[K+].[K+]>CC1=CC=C(OC=2C=CC3=C(N=C(O3)\C=C\C3=CC=CC=C3)C2)C=C1 | 3 |
[F:1][C:2]1[CH:25]=[CH:24][C:5]([CH2:6][N:7]([O:17][CH:18]2[CH2:23][CH2:22][CH2:21][CH2:20][O:19]2)[C:8]([C:10]2[CH:15]=[C:14](Br)[CH:13]=[CH:12][N:11]=2)=[O:9])=[CH:4][CH:3]=1.C(=O)([O-])[O-].[Na+].[Na+].[C:32]1(B(O)O)[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1>C(#N)C.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P... | 2 |
Cl[C:2]1[N:7]=[C:6]([NH:8][C:9]2[CH:14]=[CH:13][CH:12]=[C:11]([O:15][CH3:16])[CH:10]=2)[C:5]([N+:17]([O-])=O)=[CH:4][N:3]=1.C(N(CC)CC)C.[CH:27]1([NH2:30])[CH2:29][CH2:28]1.S(S([O-])=O)([O-])=O.[Na+].[Na+]>C1COCC1.O.CO.CCOC(C)=O.C([O-])(O)=O.[Na+]>[CH:27]1([NH:30][C:2]2[N:7]=[C:6]([NH:8][C:9]3[CH:14]=[CH:13][CH:12]=[C:1... | 2 |
C(#N)C=1SC(=C(C1C(=O)OC)C)N(CC)[C@@H]1CC[C@H](CC1)N(C)C>C1CCCO1.CO[H].[OH-].[Na+]>C(#N)C=1SC(=C(C1C(=O)O)C)N(CC)[C@@H]1CC[C@H](CC1)N(C)C | 3 |
CN(C=1SC=C(N1)C1=CC=CC=C1)CC1=CC=C(C=C1)CO>>CN(C=1SC=C(N1)C1=CC=CC=C1)CC1=CC=C(C=O)C=C1 | 5 |
[NH:1]1[CH:5]=[C:4]([C:6]2[N:11]=[CH:10][C:9]3[CH:12]=[N:13][N:14]([C:15]4[N:20]=[C:19]([N:21]5[CH2:27][CH2:26][CH2:25][N:24](C(OC(C)(C)C)=O)[CH2:23][CH2:22]5)[CH:18]=[CH:17][CH:16]=4)[C:8]=3[CH:7]=2)[CH:3]=[N:2]1.CC1C=CC(S(O[CH2:46][CH2:47][S:48]([CH3:51])(=[O:50])=[O:49])(=O)=O)=CC=1>>[N:21]1([C:19]2[N:20]=[C:15]([N:... | 1 |
[F:1][C:2]([F:14])([F:13])[C:3]1[CH:8]=[C:7]([N+:9]([O-:11])=[O:10])[CH:6]=[CH:5][C:4]=1[OH:12].Br[CH2:16][C:17]([O:19][CH2:20][CH3:21])=[O:18].C(=O)([O-])[O-].[K+].[K+]>CC(=O)CC>[CH2:20]([O:19][C:17](=[O:18])[CH2:16][O:12][C:4]1[CH:5]=[CH:6][C:7]([N+:9]([O-:11])=[O:10])=[CH:8][C:3]=1[C:2]([F:13])([F:14])[F:1])[CH3:21] | 1 |
ClC1=NC2=CC=CC=C2C(=C1)Cl.CS(=O)(=O)C=1C=CC2=C(CCCNC2)C1>>ClC1=CC(=NC2=CC=CC=C12)N1CC2=C(CCC1)C=C(C=C2)S(=O)(=O)C | 5 |
BrC1=CC(=C(C=C1)OC(F)(F)F)F.CC1(OB(OC1(C)C)C=1C=NC=C(C(=O)OC)C1)C>>FC=1C=C(C=CC1OC(F)(F)F)C=1C=NC=C(C(=O)OC)C1 | 3 |
C(#C)[Si](C)(C)C.C(C1=CC=CC=C1)OC(=O)N1[C@@H](CCCC1)C1=NC2=C(N1)C=CC(=C2)I>>C(C1=CC=CC=C1)OC(=O)N1[C@@H](CCCC1)C1=NC2=C(N1)C=CC(=C2)C#C.C(C1=CC=CC=C1)OC(=O)N1[C@@H](CCCC1)C1=NC2=C(N1)C=CC(=C2)C#C[Si](C)(C)C | 5 |
ClC(=O)OC.FC=1C=NC=CC1C1=CC=2C(NCC3(C2N1)CNCC3)=O>ClCCl.CCN(CC)CC>FC=1C=NC=CC1C1=CC=2C(NCC3(C2N1)CN(CC3)C(=O)OC)=O | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)OC1=C(C=C(C=C1C)[N+](=O)[O-])C(N)=O>>C(C)(C)(C)OC(=O)N1CCC(CC1)OC1=C(C=C(N)C=C1C)C(N)=O | 5 |
[CH2:1]([C:3]1([CH2:20][CH3:21])[C:12]2[C:7](=[CH:8][CH:9]=[C:10]([OH:13])[CH:11]=2)[CH2:6][C@@H:5]([O:14][CH3:15])[C@@H:4]1[NH:16]C(=O)O)[CH3:2].Cl.O1CCOCC1>ClCCl>[NH2:16][C@@H:4]1[C:3]([CH2:20][CH3:21])([CH2:1][CH3:2])[C:12]2[CH:11]=[C:10]([OH:13])[CH:9]=[CH:8][C:7]=2[CH2:6][C@H:5]1[O:14][CH3:15] | 2 |
C(C)(C)(C)OC(=O)N(C1=[N+](C=C(C=C1)CC(=O)O)[O-])CCNC(=O)OC(C)(C)C>>C(C)(C)(C)OC(=O)N(C1=CC=C(C=N1)CC(=O)O)CCNC(=O)OC(C)(C)C | 5 |
ClC1=NC=NC(=C1)Cl.FC(C1=C(C=CC=C1)B(O)O)(F)F>C([O-])([O-])=O.[K+].[K+].O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC1=NC=NC(=C1)C1=C(C=CC=C1)C(F)(F)F | 3 |
[NH2:1][C:2]1[C:3]2[S:11][CH:10]=[C:9]([C:12]3[CH:13]=[C:14]([NH:18][S:19]([CH3:22])(=[O:21])=[O:20])[CH:15]=[CH:16][CH:17]=3)[C:4]=2[N:5]=[C:6](Cl)[N:7]=1.[CH2:23]([N:25]1[CH2:30][CH2:29][N:28]([C:31]2[N:36]=[CH:35][C:34]([NH2:37])=[CH:33][CH:32]=2)[CH2:27][CH2:26]1)[CH3:24]>>[NH2:1][C:2]1[C:3]2[S:11][CH:10]=[C:9]([C:... | 1 |
C(O[C:4](=[O:17])[C:5]([NH:7][C:8]1[CH:13]=[CH:12][C:11]([N+:14]([O-:16])=[O:15])=[CH:10][CH:9]=1)=[O:6])C.C(N(CC)CC)C.[NH2:25][C:26]1[CH:31]=[C:30]([CH3:32])[CH:29]=[C:28]([CH3:33])[N:27]=1>C1(C)C=CC=CC=1>[CH3:32][C:30]1[CH:29]=[C:28]([CH3:33])[N:27]=[C:26]([NH:25][C:4](=[O:17])[C:5]([NH:7][C:8]2[CH:9]=[CH:10][C:11]([... | 1 |
CN1C2CCC1CC(C2)O.C=1C=CC(=CC1)C2(C(=O)N=C(N2)O)C=3C=CC=CC3>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>CN1C2CC(CC1CC2)N2C(NC(C2=O)(C2=CC=CC=C2)C2=CC=CC=C2)=O | 3 |
BrC1=CC=C(C=C1)C1=NN=NN1.FC1(CCN(CC1)C(=O)C=1C=CC2=C(OCCN2)C1)F>C1(=CC=CC=C1)C.Cl.CC(C)(C)[O-].[Na+].[Pd].C(C)(C)(C)P(C(C)(C)C)C(C)(C)C.C(C)(C)(C)P(C(C)(C)C)C(C)(C)C>N1N=NN=C1C1=CC=C(C=C1)N1C2=C(OCC1)C=C(C=C2)C(=O)N2CCC(CC2)(F)F | 3 |
C(C)(C)(C)OC(=O)N1[C@H]([C@@H](OC[C@@H]1[C@H]([C@H](CC1=CC(=CC(=C1)F)OCC1=CC=CC=C1)N(CC1=CC=CC=C1)CC1=CC=CC=C1)OCC1=CC=CC=C1)OCC(F)(F)F)C>>C(C)(C)(C)OC(=O)N1[C@H]([C@@H](OC[C@@H]1[C@H]([C@H](CC1=CC(=CC(=C1)O)F)N)O)OCC(F)(F)F)C | 5 |
C1(=CC=CC2=CC=CC=C12)O.BrC(C(=O)OCC)C(=O)OCC>N(C)(C)C=O.[H-].[Na+]>C(C)OC(C(C(=O)OCC)OC1=CC=CC2=CC=CC=C12)=O | 3 |
COCC(=O)O.NC1=C(C=C(C=C1)Br)NC1=NC=NC(=N1)N>>BrC=1C=CC2=C(N(C(=N2)COC)C2=NC(=NC=N2)N)C1 | 5 |
BrC=1C=C2C=CC(=NC2=CC1)C(OC)OC>N(C)(C)C=O.C1CCCO1.C(CCC)[Li]>COC(C1=NC2=CC=C(C=C2C=C1)C=O)OC | 3 |
BrC1(OC(OC1=O)(C)C)CC(=O)O[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C>C1CCCO1.C1CCC2=NCCCN2CC1>CC1(O\C(\C(O1)=O)=C/C(=O)O[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)C | 3 |
IC1=CC=C(C(=O)OC)C=C1.C(CCC)=O>>COC(C1=CC=C(C=C1)C(CCC)O)=O | 5 |
C(CCCCC)(=O)O.NC1=NC=C(N=C1CC1=CC=CC=C1)C1=CC=C(C=C1)O.[Na+].O=C(C(=O)[O-])CCCC>>C(C1=CC=CC=C1)C1=C2N(C=C(N1)C1=CC=C(C=C1)O)C(C(=N2)CCCC)=O | 5 |
[N:1]([C@@H:4]([C@@H:31]([C:39]1[CH:44]=[CH:43][C:42]([Cl:45])=[CH:41][CH:40]=1)[C:32]1[CH:37]=[CH:36][CH:35]=[C:34]([F:38])[CH:33]=1)[C:5]([NH:7][C:8]1[CH:9]=[N:10][CH:11]=[C:12]([F:30])[C:13]=1[CH2:14][CH2:15][C@H:16]1[CH2:20][O:19]C(C)(C)[N:17]1C(OC(C)(C)C)=O)=[O:6])=[N+:2]=[N-:3].FC(F)(F)C(O)=O.O>ClCCl>[NH2:17][C@H... | 2 |
O=C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.[CH:13]1[N:18]=[C:17]([NH2:19])[C:16]2[N:20]=[CH:21][N:22]([C@@H:23]3[O:27][C@H:26]([CH2:28][O:29][P:30]([OH:33])([OH:32])=[O:31])[C@@H:25]([OH:34])[C@H:24]3[OH:35])[C:15]=2[N:14]=1.C1SC(N=C(N)N)=NC=1CSCC/C(/N)=N/S(N)(=O)=O>CO>[P:30]([O:29][CH2:28][C@H:26]1[O:27][C@@H:23]([N:22]... | 1 |
[NH2:1][C:2]1[N:7]=[C:6]2[C:8]([CH:11]3[CH2:16][CH2:15][N:14]([CH3:17])[CH2:13][CH2:12]3)=[CH:9][NH:10][C:5]2=[CH:4][CH:3]=1.[CH3:18][N:19]=[C:20]=[O:21].O1CCCC1>CN(C)C=O>[CH3:18][NH:19][C:20]([NH:1][C:2]1[N:7]=[C:6]2[C:8]([CH:11]3[CH2:16][CH2:15][N:14]([CH3:17])[CH2:13][CH2:12]3)=[CH:9][NH:10][C:5]2=[CH:4][CH:3]=1)=[O... | 1 |
NC1CCN(CC1)C(=O)OC(C)(C)C.FC1=C(C=CC=C1Cl)[N+](=O)[O-]>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].[I-].[K+]>ClC1=C(C(=CC=C1)[N+](=O)[O-])NC1CCN(CC1)C(=O)OC(C)(C)C | 3 |
CC(CS(=O)(=O)Cl)C.ClC1=NC=C(C(=N1)N[C@@H]1C2C(OC1)[C@H](CO2)N)Cl>ClCCl.CCN(CC)CC>ClC1=NC=C(C(=N1)N[C@H]1COC2C1OC[C@@H]2NS(=O)(=O)CC(C)C)Cl | 3 |
COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(OCC1=CC=NC=C1)=O>O.C1CCCO1.O[Li].O>C(=O)(O)[C@H](CC1=CC=C(C=C1)O)NC(OCC1=CC=NC=C1)=O | 3 |
C[O:2][C:3](=[O:19])[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[NH:10][CH2:11][C:12]1[CH:17]=[CH:16][C:15](=[O:18])[NH:14][CH:13]=1.[OH-].[Na+].Cl.C(O)C>CN(C)C=O>[O:18]=[C:15]1[NH:14][CH:13]=[C:12]([CH2:11][NH:10][C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[C:3]([OH:19])=[O:2])[CH:17]=[CH:16]1 | 1 |
C1(CCCCC1)NS(=O)(=O)NC1=NOC2=C1C(=CC(=C2)C=2C=C(C=CC2)N2CCN(CC2)C(=O)OC(C)(C)C)OC>ClCCl.Cl.O1CCOCC1>Cl.C1(CCCCC1)NS(=O)(=O)NC1=NOC2=C1C(=CC(=C2)C=2C=C(C=CC2)N2CCNCC2)OC | 3 |
O.[OH-].[Li+].O.[Cl:5][C:6]1[CH:7]=[C:8]2[C:12](=[CH:13][CH:14]=1)[N:11]([C:15]1[C:24]3[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=3)[N:18]=[CH:17][CH:16]=1)[CH:10]=[C:9]2[C:25]([O:27]C)=[O:26]>O1CCCC1>[C:25]([C:9]1[C:8]2[C:12](=[CH:13][CH:14]=[C:6]([Cl:5])[CH:7]=2)[N:11]([C:15]2[C:24]3[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=3... | 1 |
C(C)(C)(C)OC(N([C@H]1CS(C[C@H]([C@@H]1O)CC1=CC=C(C=C1)NC1=NOC(=C1)C1=CC=C(C=C1)F)(=O)=O)CC1=CC(=CC=C1)C(C)(C)C)=O>>Cl.C(C)(C)(C)C=1C=C(CN[C@H]2CS(C[C@H]([C@@H]2O)CC2=CC=C(C=C2)NC2=NOC(=C2)C2=CC=C(C=C2)F)(=O)=O)C=CC1 | 5 |
[O:1]=[C:2]1[CH2:6][CH2:5][CH2:4][N:3]1[C:7]([NH:9][CH2:10][CH2:11][C:12]1[CH:17]=[CH:16][C:15]([S:18]([NH2:21])(=[O:20])=[O:19])=[CH:14][CH:13]=1)=[O:8].[OH-].[Na+].O.[CH:25]1([N:31]=[C:32]=[O:33])[CH2:30][CH2:29][CH2:28][CH2:27][CH2:26]1>CC(C)=O>[O:1]=[C:2]1[CH2:6][CH2:5][CH2:4][N:3]1[C:7]([NH:9][CH2:10][CH2:11][C:12... | 1 |
[Br:1][C:2]1[C:3]([N:9]([CH:11]2[CH2:15][CH2:14][CH2:13][CH2:12]2)[CH3:10])=[N:4][C:5](Cl)=[N:6][CH:7]=1.CC(C)([O-])C.[Na+].[C:22]([O:26][C:27]([N:29]1[CH2:34][CH2:33][N:32]([C:35]2[CH:40]=[CH:39][C:38]([NH2:41])=[CH:37][CH:36]=2)[CH2:31][CH2:30]1)=[O:28])([CH3:25])([CH3:24])[CH3:23]>C1(C)C=CC=CC=1>[C:22]([O:26][C:27](... | 2 |
C(C)N(CCO)CC.ClC1=CC(=NC2=C3N=CC=CC3=CC=C12)C>>C(C)N(CCOC1=CC(=NC2=C3N=CC=CC3=CC=C12)C)CC | 5 |
Cl[C:2]1[CH:7]=[CH:6][N:5]=[C:4]2[NH:8][CH:9]=[CH:10][C:3]=12.[NH2:11][C:12]1[CH:17]=[CH:16][C:15]([OH:18])=[CH:14][C:13]=1[F:19].CCN(C(C)C)C(C)C.[H-].[Na+]>CN1C(=O)CCC1.O>[NH:8]1[C:4]2=[N:5][CH:6]=[CH:7][C:2]([O:18][C:15]3[CH:16]=[CH:17][C:12]([NH2:11])=[C:13]([F:19])[CH:14]=3)=[C:3]2[CH:10]=[CH:9]1 | 1 |
NC1=C(C(=O)O)C=C(C=C1)F.FC1=CC2=C(NC(OC2=O)=O)C=C1.ClC1=NC=C(C(=C1)I)C(F)(F)F.NC1=C(C(=O)NOC)C=C(C=C1)F>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.O1CCOCC1.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.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC1=NC=C(C(=C1)NC1=C(C(=O)NOC)C=C(C=C1)F)C(F)(F)F | 3 |
[F:1][C:2]1[CH:3]=[C:4]([CH:7]=[C:8]([F:13])[C:9]=1[CH:10]=[N:11]O)[C:5]#[N:6].N>C(O)(=O)C.[Zn]>[NH2:11][CH2:10][C:9]1[C:8]([F:13])=[CH:7][C:4]([C:5]#[N:6])=[CH:3][C:2]=1[F:1] | 1 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[Cl:7][CH2:8][C:9]([O:11][CH3:12])=[O:10]>C(OCC)(=O)C>[Cl-:7].[CH3:12][O:11][C:9]([CH2:8][N+:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1)=[O:10] | 1 |
BrC=1C=C(C(=C(C1)N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC)[N+](=O)[O-])NC>C1CCCO1.CO[H].ClCCl.[Zn].[Cl-].[NH4+].C(=O)O>BrC=1C=C(C(=C(C1)N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC)NC)N | 3 |
Br[CH2:2][CH2:3][O:4][CH3:5].[F:6][C:7]1[CH:8]=[CH:9][C:10]([N+:14]([O-:16])=[O:15])=[C:11]([OH:13])[CH:12]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C.O>[F:6][C:7]1[CH:8]=[CH:9][C:10]([N+:14]([O-:16])=[O:15])=[C:11]([O:13][CH2:2][CH2:3][O:4][CH3:5])[CH:12]=1 | 2 |
BrC=1C(=CC2=C(C3=NC(=CN3CCO2)C=2N(N=C(N2)C)C(C)C)C1)F>>FC1=CC2=C(C3=NC(=CN3CCO2)C=2N(N=C(N2)C)C(C)C)C=C1C=C | 5 |
Br[C:2]1[CH:11]=[C:10]([CH2:12][N:13]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH3:14])[CH:9]=[CH:8][C:3]=1[C:4]([O:6][CH3:7])=[O:5].[CH3:22][N:23](C=O)C>[C-]#N.[Zn+2].[C-]#N.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)C... | 2 |
O=[C:2]1[CH2:6][S:5][CH2:4][CH:3]1[C:7]#[N:8].Cl.[C:10]1([NH:16][NH2:17])[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1.CCO>>[C:10]1([N:16]2[C:7]([NH2:8])=[C:3]3[CH2:4][S:5][CH2:6][C:2]3=[N:17]2)[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1 | 2 |
IC=1C=C(C=O)C=C(C1OC)OC>C1CCCO1.[Na+].[BH4-]>IC=1C=C(C=C(C1OC)OC)CO | 3 |
C(C)OC(C1=CC=CC=C1)=C1C(NC2=CC=CC=C12)=O.C(CC)(=O)NC1=CC=C(N)C=C1>>C(CC)(=O)NC1=CC=C(C=C1)N\C(\C1=CC=CC=C1)=C\1/C(NC2=CC=CC=C12)=O | 5 |
C(C)(C)(C)N1C(C(C=2C1=NC=CC2)CC2=C(C=CC(=C2)C(F)(F)F)CO)=O>N(C)(C)C=O.ClCCl.ClS(Cl)=O>C(C)(C)(C)N1C(C(C=2C1=NC=CC2)CC2=C(C=CC(=C2)C(F)(F)F)CCl)=O | 3 |
O([K])C#N.CC=1C=C(C=C(C1)NC1=NC=CC(=N1)C(F)(F)F)C1=CN=C(S1)C1(CCNCC1)O>>OC1(CCN(CC1)C(=O)N)C=1SC(=CN1)C1=CC(=CC(=C1)NC1=NC=CC(=N1)C(F)(F)F)C | 5 |
C([NH:4][C:5]1[C:15]([O:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)=[CH:14][C:8]2[C:9](=[O:13])[CH:10]=[CH:11][O:12][C:7]=2[CH:6]=1)(=O)C.CC(C)([O-])C.[K+].[CH2:29]([S:31](Cl)(=[O:33])=[O:32])[CH3:30].O>CN(C)C=O.C(OCC)(=O)C>[CH2:29]([S:31]([NH:4][C:5]1[C:15]([O:16][C:17]2[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=2)=... | 1 |
[F:1][C:2]([F:30])([F:29])[C:3]1[CH:4]=[C:5]([C:13]2(C)[CH:22]([C:23](O)=[O:24])[C:21]3[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=3)[C:15](=[O:26])[N:14]2[CH3:27])[CH:6]=[C:7]([C:9]([F:12])([F:11])[F:10])[CH:8]=1.C1CN([P+](ON2N=NC3C=CC=CC2=3)(N2CCCC2)N2CCCC2)CC1.F[P-](F)(F)(F)(F)F.[CH2:64]([CH2:67][OH:68])[CH2:65][NH2:66].C... | 2 |
BrC=1C=C(C(=O)OC)C=CN1.ClC1=C(C=CC(=C1)OCC=1C(=NOC1C1CC1)C1=C(C=C(C=C1Cl)F)Cl)C1(CNC1)O>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>ClC1=C(C=CC(=C1)OCC=1C(=NOC1C1CC1)C1=C(C=C(C=C1Cl)F)Cl)C1(CN(C1)C=1C=C(C(=O... | 3 |
Br[C:2]1[CH:3]=[N:4][CH:5]=[C:6]([O:8][CH2:9][C@@H:10]2[CH2:14][CH2:13][CH2:12][N:11]2[C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH:7]=1.[CH3:22][O:23][C:24]1[CH:39]=[CH:38][C:27]([CH2:28][O:29][CH2:30][CH2:31][CH:32]2[CH2:37][CH2:36][NH:35][CH2:34][CH2:33]2)=[CH:26][CH:25]=1.CC(C)([O-])C.[Na+]>C1(C)C=CC=... | 1 |
FC(C(O)C1=C(C=C(C=C1)S(=O)(=O)C)C1=CC=CC=C1)(F)F>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>FC(C(=O)C1=C(C=C(C=C1)S(=O)(=O)C)C1=CC=CC=C1)(F)F | 3 |
NC1=CC=C(C=C1)C1=CC=CC=C1.NS(=O)(=O)C1=C(NC(S1)=C(C(=O)OCC)C(=O)OCC)C>C1(=CC=C(C=C1)C)C.C2=C(C=CC=C2C)C.C3=CC=CC(=C3C)C>NS(=O)(=O)C1=C(NC(S1)=C(C(=O)OCC)C(=O)NC1=CC=C(C=C1)C1=CC=CC=C1)C | 3 |
ClC=1C=C(C(=O)C2=C(C#N)C=CC=C2)C=C(N1)Cl.CC(CS(=O)N)C>>C(#N)C1=C(C=CC=C1)\C(=N\S(=O)C(C)(C)C)\C1=CC(=NC(=C1)Cl)Cl | 5 |
N1=C(C=CC=C1)CN(C(=O)OC(C)(C)C)CC1=CC=C(C2=CC=CC=C12)C(=O)N[C@H](C(=O)O)CCCN[C@@H]1CCCC=2C=CC=NC12>CO[H].Cl.Cl>N1=C(C=CC=C1)CNCC1=CC=C(C2=CC=CC=C12)C(=O)N[C@H](C(=O)O)CCCN[C@@H]1CCCC=2C=CC=NC12 | 3 |
C(C)(=O)C1=NN(C2=CC=C(C=C12)C=1C=NC(=NC1)C)CC(=O)O.BrC1=CC=C(C(=N1)NC(=O)[C@H]1N[C@@H]2C[C@@]2(C1)CNC([C@H](C(C)C)NC(OC)=O)=O)COC>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>C(C)(=O)C1=NN(C2=CC=C(C=C12)C=1C=NC(=NC1)C)CC(=O)N1[C@@H]2C[C@@]2(C[C@H]1C(NC1=NC(=CC=C1COC)Br)=O)CNC([C... | 3 |
[CH3:1][N:2]([CH3:12])[C:3]1[CH:8]=[CH:7][C:6]([CH2:9][CH2:10]O)=[CH:5][CH:4]=1.S(Cl)([Cl:15])=O>ClCCl>[ClH:15].[Cl:15][CH2:10][CH2:9][C:6]1[CH:7]=[CH:8][C:3]([N:2]([CH3:12])[CH3:1])=[CH:4][CH:5]=1 | 2 |
IC=1C=C(C#N)C=CC1.C#C.C[SiH](C)C>>C[Si](C#CC=1C=C(C#N)C=CC1)(C)C | 5 |
[F:1][C:2]([F:18])([F:17])[C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:14]=[CH:13][N:12]=[C:11]([CH:15]=O)[CH:10]=2)=[CH:5][CH:4]=1.[ClH:19].[CH3:20][NH:21][C:22](=[O:27])[C:23]([CH3:26])([CH3:25])[NH2:24].C([O-])(=O)C.[Na+].[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+].C(O)(=O)C>ClCCCl>[ClH:19].[CH3:20][NH:21][C:22](=[O:27])[C:23]([CH3:... | 2 |
COC=1C=C2CCC(C2=CC1)=O>CO[H].[Na+].[BH4-]>COC=1C=C2CCC(C2=CC1)O | 3 |
[CH:1](NC(C)C)(C)C.C([Li])CCC.[CH:13]1[C:18]2[CH2:19][CH2:20][CH2:21][C:22](=[O:24])[CH2:23][C:17]=2[CH:16]=[CH:15][CH:14]=1.[CH2:25]([O:32][C:33]1[CH:38]=[CH:37][C:36](CBr)=[CH:35][C:34]=1[N+:41]([O-:43])=[O:42])[C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1>C1COCC1>[CH2:25]([O:32][C:33]1[CH:38]=[C:37]([CH:36]=[CH:35]... | 1 |
[NH2:1][C:2]1[CH:10]=[C:9]([F:11])[CH:8]=[CH:7][C:3]=1[C:4](O)=[O:5].C1COCC1.B.C1COCC1>C(O)C>[NH2:1][C:2]1[CH:10]=[C:9]([F:11])[CH:8]=[CH:7][C:3]=1[CH2:4][OH:5] | 1 |
BrC1=C(C=CC=C1)C(C(=O)OCC)(F)F>O.C1CCCO1.CO[H].O[Li].O>BrC1=C(C=CC=C1)C(C(=O)O)(F)F | 3 |
C([N-]C(C)C)(C)C.[Li+].[CH2:9]([C@H:11]1[C@H:16]2[C@H:17]3[C@H:26]([CH2:27][CH2:28][C@:14]2([CH3:15])[C:13](=[O:31])[CH2:12]1)[C:25]1[CH:24]=[CH:23][C:22]([O:29][CH3:30])=[CH:21][C:20]=1[CH2:19][CH2:18]3)[CH3:10].Cl[Si](C)(C)C.[Cl-].[NH4+]>O1CCCC1.C(#N)C.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C(OCC)(=O)C>[CH2:9]([C:11]1[C@H:... | 1 |
C(C)(C)(C)NS(=O)(=O)C1=C(C=CC=C1)[Ge](C)(C)C>C(=O)(C(F)(F)F)O.CCCCCC>C[Ge](C1=C(C=CC=C1)S(=O)(=O)N)(C)C | 3 |
[Br:1]C1C(Cl)=C(CC2C=CC(OCC)=CC=2)C=C([C@H]2[C@H](OCC3C=CC=CC=3)[C@@H](OCC3C=CC=CC=3)[C@H](OCC3C=CC=CC=3)[C@@H](COCC3C=CC=CC=3)O2)C=1O.[CH2:59]([C:66]1[C:67]([Cl:112])=[C:68]([OH:111])[CH:69]=[C:70]([C@H:72]2[C@H:77]([O:78][CH2:79][C:80]3[CH:85]=[CH:84][CH:83]=[CH:82][CH:81]=3)[C@@H:76]([O:86][CH2:87][C:88]3[CH:93]=[CH... | 1 |
[C:1](Cl)(=[O:19])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18].[NH2:21][CH2:22][CH:23]([OH:26])[CH2:24][NH2:25]>C(Cl)CCl>[C:1]([NH:21][CH2:22][CH:23]([OH:26])[CH2:24][NH:25][C:1](=[O:19])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]... | 2 |
Br[C:2]1[N:3]=[CH:4][C:5]([O:31][CH3:32])=[C:6]2[C:10]([C:11](=[O:30])[C:12]([N:14]3[CH2:23][CH2:22][C:21]4[C:16](=[CH:17][CH:18]=[CH:19][C:20]=4[C:24]4[CH:29]=[CH:28][CH:27]=[CH:26][N:25]=4)[CH2:15]3)=[O:13])=[CH:9][NH:8][C:7]=12.[OH2:33].[CH2:34]([N:36]([CH2:39]C)CC)C.CN>C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C... | 1 |
C(=O)(O)C1=CC(=C(C=C1)B(O)O)OC.ClC1=CC=C(N=N1)N(C1CC(NC(C1)(C)C)(C)C)C>N(C)(C)C=O.C(C)OCC.ClCCl.C([O-])([O-])=O.[Na+].[Na+].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]>COC=1C=C(C(=O)O)C=CC1C=1N=NC(=CC1)N(C1CC(NC(C1)(C)C)(C)C)C | 3 |
C1(CCC1)CN1[C@H]2[C@@]3(CCC([C@H]4[C@]3(CC1)C1=C(O4)C(=CC=C1C2)C(=O)N)=O)O>Cl.[Zn].N.C(C)(=O)O>C1(CCC1)CN1CC[C@]23C=4C(=C(C=CC4C[C@@H]1[C@@]3(CCC(C2)=O)O)C(=O)N)O | 3 |
C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N1CC(CC(C1)C(N)=O)NC(=O)OC(C)(C)C>ClCCl.CC[N+](CC)(CC)S(=O)(=O)N=C([O-])OC>C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N1CC(CC(C1)C#N)NC(=O)OC(C)(C)C | 3 |
BrC1=CC=C(C=C1)N1N=C(N=N1)C1=NC=CC=C1>>N1C(COCC1)C1=CC=C(C=C1)N1N=C(N=N1)C1=NC=CC=C1 | 5 |
Br[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:8][C:9]([OH:11])=[O:10].[CH3:12][C:13]1[CH:19]=[CH:18][C:17]([CH3:20])=[CH:16][C:14]=1[NH2:15]>>[CH3:12][C:13]1[CH:19]=[CH:18][C:17]([CH3:20])=[CH:16][C:14]=1[NH:15][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:8][C:9]([OH:11])=[O:10] | 1 |
FC1=C(SC2=C1C=CC=C2OC)CO>C1CCCO1.C(C)OCC.P(Br)(Br)Br>BrCC=1SC2=C(C1F)C=CC=C2OC | 3 |
[ClH:1].C(OCC)C.[CH2:7]([NH:10][C:11]1[N:16]=[C:15]([NH:17][CH2:18][CH2:19][CH3:20])[N:14]=[C:13]([NH:21][O:22][CH3:23])[N:12]=1)[CH2:8][CH3:9]>O1CCOCC1>[ClH:1].[CH2:7]([NH:10][C:11]1[N:16]=[C:15]([NH:17][CH2:18][CH2:19][CH3:20])[N:14]=[C:13]([NH:21][O:22][CH3:23])[N:12]=1)[CH2:8][CH3:9] | 1 |
[CH:1]([N:4]1[CH2:8][CH2:7][CH:6]([OH:9])[CH2:5]1)([CH3:3])[CH3:2].C(N(CC)CC)C.[CH3:17][S:18](Cl)(=[O:20])=[O:19]>C1(C)C=CC=CC=1>[CH3:17][S:18]([O:9][CH:6]1[CH2:7][CH2:8][N:4]([CH:1]([CH3:3])[CH3:2])[CH2:5]1)(=[O:20])=[O:19] | 1 |
[C:1]([NH:20][C@H](C(O)=O)CSC(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)([C:14]1[CH:19]=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.O[N:47]1[C:51]2C=CC=CC=2N=N1.C1(N=C=NC2CCCCC2)CCCCC1.N1([O:80]C(=O)[C@H](CSC(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)NC(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)C2C=CC=CC=2N=N1.C([N:127]1[CH2:132][CH2:131]OCC1)C... | 1 |
COC1=C(C=C(C=N1)C1=NC(=CC=C1C)N)C.ClC=1C=C(C=CC1OC)C1(CC1)C(=O)O>N(C)(C)C=O.ClCCl.ClS(Cl)=O.CCN(CC)CC>ClC=1C=C(C=CC1OC)C1(CC1)C(=O)NC1=CC=C(C(=N1)C=1C=NC(=C(C1)C)OC)C | 3 |
[Cl-].C1(=CC=CC=C1)[I+]C1=CC=CC=C1.C(C(C)(C)C)(=O)OCC(S(=O)(=O)[O-])(F)F.C(C)[NH+](CC)CC>O.C(Cl)(Cl)(Cl)[H]>C(C(C)(C)C)(=O)OCC(S(=O)(=O)[O-])(F)F.C1(=CC=CC=C1)[I+]C1=CC=CC=C1 | 3 |
NC1=C(C(=CC=C1)C(=O)OC)C#C[C@@]1(N(CCC1)C(=O)OCC1=CC=CC=C1)C>CCO[H].[Zn].BrC(C)Br>C(C1=CC=CC=C1)OC(=O)N1[C@@](CCC1)(C)C=1NC=2C=CC=C(C2C1)C(=O)OC | 3 |
C(C=C)(=O)Cl.NC=1C=C(C=CC1N(C1=NC=NC(=C1)N(C(=O)N(COCC[Si](C)(C)C)C1=C(C(=CC(=C1Cl)OC)OC)Cl)C)C(=O)OC(C)(C)C)N1CCN(CC1)C(=O)OC(C)(C)C>>C(C=C)(=O)NC=1C=C(C=CC1N(C1=NC=NC(=C1)N(C(=O)N(COCC[Si](C)(C)C)C1=C(C(=CC(=C1Cl)OC)OC)Cl)C)C(=O)OC(C)(C)C)N1CCN(CC1)C(=O)OC(C)(C)C | 5 |
FC(CCC(=C)COS(=O)(=O)C)(F)C=1NN=C2C1CN([C@@H](C2)C)C(=O)OC(C)(C)C>C1CCCO1.C1CCC2=NCCCN2CC1>FC1(C=2N(CC(CC1)=C)N=C1C2CN(C(C1)C)C(=O)OC(C)(C)C)F | 3 |
C[O:2][C:3]([C@@H:5]1[CH2:9][C@H:8]([NH:10][C:11]([C:13]2[CH:22]=[CH:21][C:20]3[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=3)[C:14]=2[OH:23])=[O:12])[CH2:7][N:6]1[CH2:24][CH:25]1[CH2:30][CH2:29][CH2:28][CH2:27][CH2:26]1)=O.[CH2:31]([NH2:34])[CH2:32][CH3:33].C[Al](C)C>>[CH2:31]([NH:34][C:3]([C@@H:5]1[CH2:9][C@H:8]([NH:10][C:1... | 1 |
[Cl:1][C:2]1[CH:11]=[C:10]2[C:5]([N:6]=[C:7]([N:16]3[CH2:21][CH2:20][N:19]([CH3:22])[CH2:18][CH2:17]3)[C:8]3[N:9]2[CH2:12][CH:13]([CH3:15])[N:14]=3)=[CH:4][CH:3]=1.ClC1C(=O)C(C#N)=C(C#N)C(=O)C=1Cl>C1(C)C(C)=CC=CC=1>[Cl:1][C:2]1[CH:11]=[C:10]2[C:5]([N:6]=[C:7]([N:16]3[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]3)[C:... | 2 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([OH:14])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[H-].[Na+].[C:17]([O:21][CH3:22])(=[O:20])[CH:18]=[CH2:19]>>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([O:14][CH2:19][CH2:18][C:17]([O:21][CH3:22])=[O:20])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:2])[CH3:3] | 2 |
[CH3:1][N:2]1[C:11]2[NH:10][C:9]3[CH:12]=[C:13]([CH3:16])[CH:14]=[CH:15][C:8]=3[NH:7][C:6](=O)[C:5]=2[CH:4]=[N:3]1.[H-].[Al+3].[Li+].[H-].[H-].[H-].N>C1COCC1>[CH3:1][N:2]1[C:11]2[NH:10][C:9]3[CH:12]=[C:13]([CH3:16])[CH:14]=[CH:15][C:8]=3[NH:7][CH2:6][C:5]=2[CH:4]=[N:3]1 | 1 |
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