smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[Si](C)(C)(C(C)(C)C)OC(=O)N[C@H]1[C@@H](C2=CC=CC=C2C1)COC(C(=O)OC(C)(C)C)C>>N[C@H]1[C@@H](C2=CC=CC=C2C1)COC(C(=O)OC(C)(C)C)C | 5 |
OC(C(F)(F)F)=O.Br[C:9]1[CH:10]=[C:11]2[C:18]3([CH2:23][C:22](=[O:24])[N:21]([CH3:25])[C:20](=[NH:26])[NH:19]3)[CH2:17][CH:16]([C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=3)[O:15][C:12]2=[CH:13][CH:14]=1.[N:33]1[CH:38]=[CH:37][CH:36]=[C:35](B(O)O)[CH:34]=1.C([O-])([O-])=O.[Cs+].[Cs+].O>O1CCOCC1>[NH:26]=[C:20]1[NH:19][C... | 1 |
ClC1=C(C(=CC(=C1)N1N=CC(NC1=O)=O)Cl)C(C(=O)Cl)C1=CC=C(C=C1)Cl>>ClC=1C=C(C=C(C1C(CO)C1=CC=C(C=C1)Cl)Cl)N1N=CC(NC1=O)=O | 5 |
[Cl:1][C:2]1[C:10]([F:11])=[CH:9][CH:8]=[C:7]2[C:3]=1[C:4](=[O:13])[C:5](=[O:12])[NH:6]2.S(=O)(=O)(O)[OH:15].OO>C(O)(=O)C>[Cl:1][C:2]1[C:10]([F:11])=[CH:9][CH:8]=[C:7]2[NH:6][C:5](=[O:15])[O:12][C:4](=[O:13])[C:3]=12 | 1 |
[CH2:1]([C@:8]([OH:42])([CH2:22][CH2:23][O:24][Si:25]([C:38]([CH3:41])([CH3:40])[CH3:39])([C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1)[C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1)[C:9]([NH:11][C@H:12]1[C:20]2[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=2)[CH2:14][C@H:13]1[OH:21])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C... | 1 |
C[C@]1([C@@H](CNCC1)O)O.ClCC1=CC2=C(S1)C=CC(=C2)C#CC2=NC=C(C=C2)C2=CC=C(C=C2)Cl>N(C)(C)C=O>ClC1=CC=C(C=C1)C=1C=CC(=NC1)C#CC1=CC2=C(SC(=C2)CN2C[C@H]([C@](CC2)(O)C)O)C=C1 | 3 |
[CH3:1][S:2]([C:5]1[CH:10]=[CH:9][C:8]([C:11]2[N:16]3[N:17]=[C:18]([NH2:20])[N:19]=[C:15]3[CH:14]=[CH:13][CH:12]=2)=[CH:7][CH:6]=1)(=[O:4])=[O:3].Br[C:22]1[CH:27]=[CH:26][C:25]([N:28]2[CH2:33][CH2:32][N:31]([CH3:34])[CH2:30][CH2:29]2)=[CH:24][CH:23]=1>>[CH3:1][S:2]([C:5]1[CH:10]=[CH:9][C:8]([C:11]2[N:16]3[N:17]=[C:18](... | 1 |
[CH3:1][NH:2][CH2:3][CH:4]1[C:9]2[N:10]([CH3:17])[C:11]3[CH:12]=[CH:13][CH:14]=[CH:15][C:16]=3[C:8]=2[S:7][CH2:6][CH2:5]1.C(N(CC)CC)C.[C:25]([O:29][C:30](ON=C(C1C=CC=CC=1)C#N)=[O:31])([CH3:28])([CH3:27])[CH3:26]>O1CCCC1>[CH3:1][N:2]([CH2:3][CH:4]1[C:9]2[N:10]([CH3:17])[C:11]3[CH:12]=[CH:13][CH:14]=[CH:15][C:16]=3[C:8]=... | 1 |
BrC=1N=C(SC1)N1C(N(C2=C1C=CC=C2)CC(=O)OC(C)(C)C)=O>>C(C)(C)(C)OC(CN1C(N(C2=C1C=CC=C2)C=2SC=C(N2)C(=O)OC)=O)=O | 5 |
OC1CCN(CC1)C=1SC=C(N1)C=O.COC(CCCOC1=C(C=C2C=CC=NC2=C1N1CCNCCC1)C)=O>>COC(CCCOC1=C(C=C2C=CC=NC2=C1N1CCN(CCC1)CC=1N=C(SC1)N1CCC(CC1)O)C)=O | 5 |
FC=1C=C(C(=O)Cl)C=CC1.NC=1SC2=C(N1)C=CC(=C2)Br>>BrC1=CC2=C(N=C(S2)NC(C2=CC(=CC=C2)F)=O)C=C1 | 5 |
[Br-].C[Mg+].CON(C(=O)C=1C(=NC(=CC1)N1C=NC2=C1C=CC(=C2)NC=2N=NC(=CC2)C)N2N=C(C=C2C)OC)C>C1CCCO1.[Cl-].[NH4+]>COC1=NN(C(=C1)C)C1=NC(=CC=C1C(C)=O)N1C=NC2=C1C=CC(=C2)NC=2N=NC(=CC2)C | 3 |
[N+](=O)([O-])C.C(C)OC(C=C1CCCCC1)=O>>C(C)OC(CC1(CCCCC1)C[N+](=O)[O-])=O | 5 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[NH:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[NH2:14].[S:15]1[CH:19]=[CH:18][CH:17]=[C:16]1/[CH:20]=[CH:21]/[C:22](Cl)=O.N1C=CC=CC=1N1C2C=CC=CC=2N=C1/C=C/C1C=CC=CC=1>>[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[N:7]1[C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=2[N:14]=[C:22]1/[CH:21]... | 1 |
[CH2:1]([N:8]1[CH2:13][CH2:12][C:11](=O)[CH:10]([CH2:15][C:16](=[O:23])[C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1>Cl>[CH2:1]([N:8]1[CH2:13][CH2:12][C:11]2[O:23][C:16]([C:17]3[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=3)=[CH:15][C:10]=2[CH2:9]1)[C:2]1[CH:3]=[CH:4][CH:5]=[... | 1 |
[CH2:1]([O:3][C:4]([CH:6]([C:25]([O:27][CH2:28][CH3:29])=[O:26])[CH2:7][CH2:8][C:9]1[CH:15]=[C:14]([CH2:16][NH:17][C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH:13]=[CH:12][C:10]=1[NH2:11])=[O:5])[CH3:2].[Cl:30][C:31]1[CH:32]=[C:33]2[CH2:45][CH2:44][C@@H:43]([CH2:46][C:47](O)=[O:48])[N:35]3[C:36](=[O:42])[... | 1 |
[F:1][C@@H:2]1[CH2:6][N:5]([C:7]2[CH:8]=[CH:9][C:10]([N+:13]([O-])=O)=[N:11][CH:12]=2)[C@@H:4]([C:16]2[CH:21]=[C:20]([F:22])[CH:19]=[CH:18][C:17]=2[O:23][C@H:24]2[CH2:28][CH2:27][O:26][CH2:25]2)[CH2:3]1>C(O)C.[Ni]>[F:1][C@@H:2]1[CH2:6][N:5]([C:7]2[CH:8]=[CH:9][C:10]([NH2:13])=[N:11][CH:12]=2)[C@@H:4]([C:16]2[CH:21]=[C:... | 1 |
OCC(C)(CO)CO.C(CCCCCCC)ON1C(CC(CC1(C)C)=O)(C)C>C1(=CC=CC=C1)C.C1(=CC=C(C=C1)S(=O)(=O)O)C>OCC1(COC2(OC1)CC(N(C(C2)(C)C)OCCCCCCCC)(C)C)C | 3 |
ClC(Cl)(Cl)[NH:3][C:4](=[O:17])[NH:5][C:6]1[S:7][CH:8]=[C:9]([CH2:11][C:12]([O:14][CH2:15][CH3:16])=[O:13])[N:10]=1.C(=O)(O)[O-].[Na+]>CO.O>[NH:5]([C:6]1[S:7][CH:8]=[C:9]([CH2:11][C:12]([O:14][CH2:15][CH3:16])=[O:13])[N:10]=1)[C:4]([NH2:3])=[O:17] | 1 |
F[B-](F)(F)F.C[O+](C)C.BrC=1C(=C2C=NNC2=CC1)Cl>C(C)(=O)OCC.C(O)([O-])=O.[Na+]>BrC1=C(C2=CN(N=C2C=C1)C)Cl | 3 |
[Si](C)(C)(C(C)(C)C)OC1=CC=C(C=C1)CC(=O)Cl.[Si](C)(C)(C(C)(C)C)OC1=CC=C(C=C1)C=1N=C(C(=NC1)N)CCC1=CC=CC=C1>>[Si](C)(C)(C(C)(C)C)OC1=CC=C(C=C1)CC(=O)NC1=NC=C(N=C1CCC1=CC=CC=C1)C1=CC=C(C=C1)O[Si](C)(C)C(C)(C)C | 5 |
C[Si](CCOCN1C=C(C2=CC=CC=C12)C(=O)C=1SC=C(N1)C1CCN(CC1)C(=O)OC(C)(C)C)(C)C>O.C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>N1C=C(C2=CC=CC=C12)C(=O)C=1SC=C(N1)C1CCN(CC1)C(=O)OC(C)(C)C | 3 |
C([O:8][N:9]1[C:14](=[O:15])[C:13]2[CH:16]=[C:17]([F:25])[C:18]([N:20]3[CH2:24][CH2:23][CH2:22][CH2:21]3)=[N:19][C:12]=2[N:11]([CH:26]2[CH2:28][CH2:27]2)[C:10]1=[O:29])C1C=CC=CC=1>CO.[H][H].[Pd]>[CH:26]1([N:11]2[C:12]3[N:19]=[C:18]([N:20]4[CH2:24][CH2:23][CH2:22][CH2:21]4)[C:17]([F:25])=[CH:16][C:13]=3[C:14](=[O:15])[N... | 1 |
C[S-].[Na+].BrC1=CC(=C2C=NC(=NC2=C1OC)NC)C1=CC(=CC=C1)Cl>>BrC1=CC(=C2C=NC(=NC2=C1O)NC)C1=CC(=CC=C1)Cl | 5 |
C(C=C)(=O)OCC1=CC=CC=C1>>OCC(C(=O)OCC1=CC=CC=C1)=C | 5 |
Cl[CH2:2][C:3]([N:5]1[CH2:10][CH2:9][N:8]([C:11]2[CH:16]=[CH:15][CH:14]=[C:13]([CH3:17])[C:12]=2[CH3:18])[CH2:7][CH2:6]1)=[O:4].[CH3:19][N:20]1[CH2:25][CH2:24][N:23]([C:26]2[C:35]3[C:30](=[CH:31][CH:32]=[CH:33][CH:34]=3)[CH:29]=[CH:28][C:27]=2[OH:36])[CH2:22][CH2:21]1.[C:37](=[O:40])([O-:39])[O-].[Cs+].[Cs+]>CN(C)C=O.O... | 1 |
[C:1]1([OH:7])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[OH:8]O>CC(C)CC(=O)C>[C:1]1([C:6](=[CH:5][CH:4]=[CH:3][CH:2]=1)[OH:8])[OH:7].[C:1]1([CH:6]=[CH:5][C:4]([OH:8])=[CH:3][CH:2]=1)[OH:7] | 1 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:10]=[N:11][N:12]([C:15]3[CH:23]=[CH:22][C:18]([C:19](O)=[O:20])=[CH:17][N:16]=3)[C:13]=2[OH:14])=[C:5]([CH3:24])[CH:4]=1)#[N:2].[CH3:25][O:26][CH2:27][CH2:28][C@@H:29]([NH2:31])[CH3:30]>>[C:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:10]=[N:11][N:12]([C:15]3[CH:23]=[CH:22][C:18]([C:19... | 1 |
N1=C(C=CC=C1)CC(=O)OC>BrN1C(CCC1=O)=O.C(Cl)(Cl)(Cl)Cl.CC(C)(C#N)/N=N/C(C)(C)C#N>BrC(C(=O)OC)C1=NC=CC=C1 | 3 |
COC(C1=CC(=C(C=C1)Br)C)=O>>BrC1=C(C=C(C(=O)N(C)OC)C=C1)C | 5 |
FC1=CC=2N(C=C1)C(=CN2)C(=O)OCC>O.C1CCCO1.CCO[H].Cl.O[Li].O>FC1=CC=2N(C=C1)C(=CN2)C(=O)O | 3 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([Br:8])=[CH:4][C:3]=1[C:9]([C:11]1[CH:16]=[C:15]([F:17])[C:14]([F:18])=[CH:13][C:12]=1[F:19])=O.[CH3:20][S:21]([CH2:24][C:25](=O)[CH3:26])(=[O:23])=[O:22].[Na]>CC(O)C>[Br:8][C:5]1[CH:4]=[C:3]2[C:2](=[CH:7][CH:6]=1)[N:1]=[C:25]([CH3:26])[C:24]([S:21]([CH3:20])(=[O:23])=[O:22])=[C:9]2[C:11... | 1 |
CI.ClC1=CC2=C(C=N1)NC(N2)=S>CCO[H].[OH-].[K+]>ClC1=CC2=C(C=N1)NC(=N2)SC | 3 |
NC=1SC=NN1.ClC1=CC(=C(OC2=CC(=C(C=C2F)S(=O)(=O)OC2=CC=C(C=C2)Cl)F)C=C1)C1=CC=CC=2N1C=CN2>CC(C)(C)[O-].[K+].CS(=O)C>ClC1=CC(=C(OC2=CC(=C(C=C2F)S(=O)(=O)NC=2SC=NN2)F)C=C1)C1=CC=CC=2N1C=CN2 | 3 |
Cl.[NH:2]1[CH2:8][CH2:7][CH2:6][C:5](=[O:9])[CH2:4][CH2:3]1.C(N(C(C)C)CC)(C)C.[Cl:19][C:20]1[CH:29]=[CH:28][C:23]([CH:24]=[CH:25][CH2:26]Cl)=[CH:22][CH:21]=1>C(#N)C>[Cl:19][C:20]1[CH:29]=[CH:28][C:23](/[CH:24]=[CH:25]/[CH2:26][N:2]2[CH2:8][CH2:7][CH2:6][C:5](=[O:9])[CH2:4][CH2:3]2)=[CH:22][CH:21]=1 | 1 |
[O:1]=[C:2]1[C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][C:7]=2[CH2:6][CH2:5][CH2:4][CH:3]1[C:13]([O:15][CH2:16][CH3:17])=[O:14].[O-][CH2:19]C.[K+].C1(C)C=CC(S(OC)(=O)=O)=CC=1.[Cl-].[Na+].[BH4-].[Na+].[Cl-].[NH4+]>C1(C)C=CC=CC=1>[CH3:19][O:1][C:2]1[C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][C:7]=2[CH2:6][CH2:5][CH2:4][C:3]=1[C:13]([O:1... | 1 |
COC(CN)OC.BrC1=C(C(=O)O)C(=CC=C1)F>>BrC1=C(C(=O)NCC(OC)OC)C(=CC=C1)F | 5 |
C(C)(C)(C)N1N=C(C=2CC(CCC12)C(=O)OC)C1=CC=NC=C1>C1CCCO1.[OH-].[Li+]>C(C)(C)(C)N1N=C(C=2CC(CCC12)C(=O)O)C1=CC=NC=C1 | 3 |
COC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC([C@H]2C1)=C34)C>>CN1C[C@@H](C[C@@H]2C=3C=CC=C4NC=C(C[C@@H]12)C34)C(=O)O | 5 |
N/C(=C(/C#N)\N)/C#N.COC(CC#N)(OC)OC>>C(#N)CC=1NC(=C(N1)C#N)C#N | 5 |
C(C)(C)(C)[Si](C)(C)Cl.OC(C#N)C>O.C1(=CC=NC=C1)N(C)C.c1cnc[nH]1.ClCCl>[Si](C)(C)(C(C)(C)C)OC(C#N)C | 3 |
Cl[C:2]([O:4][C:5]1[CH:10]=[CH:9][C:8]([O:11][C:12]2[CH:17]=[CH:16][C:15]([C:18]([F:21])([F:20])[F:19])=[CH:14][N:13]=2)=[CH:7][CH:6]=1)=[O:3].[N:22]1[NH:23][N:24]=[N:25][C:26]=1[CH2:27][C:28]1[CH:40]=[CH:39][C:31]([CH2:32][CH:33]2[CH2:38][CH2:37][NH:36][CH2:35][CH2:34]2)=[CH:30][CH:29]=1>>[F:19][C:18]([F:21])([F:20])[... | 2 |
FC(C1=CC=C(C=C1)C=1N=C2N(C=CC=C2C(=O)OCC)C1)F>[OH-].[Na+]>FC(C1=CC=C(C=C1)C=1N=C2N(C=CC=C2C(=O)O)C1)F | 3 |
[NH2:1][C:2]1[C:6]([C:7]([O:9][CH2:10][CH3:11])=[O:8])=[CH:5][N:4]([CH3:12])[N:3]=1.[Cl:13][C:14]1[S:18][C:17]([C:19](Cl)=[O:20])=[CH:16][CH:15]=1>>[Cl:13][C:14]1[S:18][C:17]([C:19]([NH:1][C:2]2[C:6]([C:7]([O:9][CH2:10][CH3:11])=[O:8])=[CH:5][N:4]([CH3:12])[N:3]=2)=[O:20])=[CH:16][CH:15]=1 | 2 |
[NH2:1][C:2]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:3]=1[CH2:4][CH2:5][N:6]([CH3:12])[CH2:7]2.[CH3:13][C:14]1[CH:22]=[CH:21][CH:20]=[C:19]([CH3:23])[C:15]=1[C:16](Cl)=[O:17]>>[CH3:13][C:14]1[CH:22]=[CH:21][CH:20]=[C:19]([CH3:23])[C:15]=1[C:16]([NH:1][C:2]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:3]=1[CH2:4][CH2:5][N:6]([CH3:12])[CH2:7]2... | 1 |
CC1=C(C(=CC=C1)C)NC(C1=CC=C(C=C1)F)=O>O.CS(=O)C.CNC>CN(C1=CC=C(C(=O)NC2=C(C=CC=C2C)C)C=C1)C | 3 |
C1(=CC=C(C=C1)S(=O)(=O)Cl)C.CC(CCO)=C>ClCCl.[OH-].[Na+].[Cl-].C(C1=CC=CC=C1)[N+](CC)(CC)CC>S(=O)(=O)(OCCC(=C)C)C1=CC=C(C)C=C1 | 3 |
[OH:1][B:2]1[C:6]2[CH:7]=[C:8]([O:11][C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=3)[CH:9]=[CH:10][C:5]=2[CH:4]([CH2:18][S:19]([NH:22]C(=O)OC(C)(C)C)(=[O:21])=[O:20])[O:3]1.C(O)(C(F)(F)F)=O>C(Cl)Cl>[OH:1][B:2]1[C:6]2[CH:7]=[C:8]([O:11][C:12]3[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=3)[CH:9]=[CH:10][C:5]=2[CH:4]([CH2:18][S... | 2 |
N1(N=CC=C1)C1=CC=C(C=N1)CO>C1CCCO1.ClS(Cl)=O.Cl.C(C)(=O)OCC.C(O)([O-])=O.[Na+]>Cl.ClCC=1C=CC(=NC1)N1N=CC=C1 | 3 |
[F:1][C:2]([F:17])([F:16])[C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:14]=[CH:13][NH:12][C:11](=[O:15])[CH:10]=2)=[CH:5][CH:4]=1.Br[C:19]1[CH:27]=[C:26]2[C:22]([C:23]3[CH2:41][CH2:40][N:39]([C:42]([O:44][C:45]([CH3:48])([CH3:47])[CH3:46])=[O:43])[CH2:38][C:24]=3[N:25]2[S:28]([C:31]2[CH:37]=[CH:36][C:34]([CH3:35])=[CH:33][CH:32]... | 1 |
[CH3:1][C:2]([CH3:5])([O-])[CH3:3].[K+].[Si:7]([O:14][C:15]1[CH:20]=[C:19]([O:21][Si:22]([C:25]([CH3:28])([CH3:27])[CH3:26])([CH3:24])[CH3:23])[CH:18]=[CH:17][C:16]=1C1CCC(=O)CC1)([C:10]([CH3:13])([CH3:12])[CH3:11])([CH3:9])[CH3:8].O1C[CH2:39][CH2:38][CH2:37]1>[Br-].C[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1>[C:10]([Si... | 1 |
[NH2:1][C:2]1[CH:3]=[CH:4][C:5]2[C:6](=[O:22])[N:7]3[CH2:14][CH2:13][C:12](=[CH:15][C:16]4[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=4)[C:8]3=[N:9][C:10]=2[CH:11]=1.[C:23]1(=[O:33])[O:28][C:26](=[O:27])[C:25]2=[CH:29][CH:30]=[CH:31][CH:32]=[C:24]12>O1CCCC1>[CH:15](=[C:12]1[C:8]2=[N:9][C:10]3[CH:11]=[C:2]([NH:1][C:23]([C:24]... | 1 |
Cl.CN(O)C.ClC1=CC=C(C=N1)[C@H](C)NC(=O)[C@@H]1[C@H](C1)C1=CC=CC=C1>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>O1CC(C1)OC=1C=C(C=NC1)[C@H](C)NC(=O)[C@@H]1[C@H](C1)C1=CC=CC=C1 | 3 |
Cl.[CH3:2][O:3][C:4](=[O:14])[C:5]1[CH:10]=[C:9]([NH:11][NH2:12])[CH:8]=[CH:7][C:6]=1[Cl:13].O=[CH:16][C:17]([OH:19])=[O:18]>Cl>[CH3:2][O:3][C:4](=[O:14])[C:5]1[CH:10]=[C:9]([NH:11][N:12]=[CH:16][C:17]([OH:19])=[O:18])[CH:8]=[CH:7][C:6]=1[Cl:13] | 1 |
C([N:8]1[CH2:31][CH2:30][C@@:15]23[C:16]4[CH:17]=[C:18]([O:23][C:24](=[O:29])[C:25]([CH3:28])([CH3:27])[CH3:26])[CH:19]=[CH:20][C:21]=4[CH2:22][C@@H:9]1[C@@H:10]2[CH2:11][CH2:12][CH2:13][CH2:14]3)(OC(C)(C)C)=O.O1CCOCC1.Cl.[CH3:39][S:40](Cl)(=[O:42])=[O:41]>C(Cl)Cl>[CH3:39][S:40]([N:8]1[CH2:31][CH2:30][C@@:15]23[C:16]4[... | 1 |
[CH2:1]([C:5]1[N:9]2[C:10]3[CH:17]=[C:16]([C:18]4[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=4)[C:15]([C:24]4[CH:29]=[CH:28][C:27]([C:30]5([NH:34]C(=O)OC(C)(C)C)[CH2:33][CH2:32][CH2:31]5)=[CH:26][CH:25]=4)=[N:14][C:11]=3[O:12][CH2:13][C:8]2=[N:7][N:6]=1)[CH:2]([CH3:4])[CH3:3].C(O)(C(F)(F)F)=O>ClCCl>[CH2:1]([C:5]1[N:9]2[C:10]... | 1 |
[CH2:1]([O:3][C:4]([C:6]1[C:10]([C:11]2[CH:16]=[CH:15][C:14]([Br:17])=[CH:13][CH:12]=2)=[CH:9][S:8][C:7]=1[NH2:18])=[O:5])[CH3:2].Cl[CH:20]([C:26]([O-])=[O:27])[C:21]([O:23][CH2:24][CH3:25])=[O:22]>C(Cl)Cl>[CH2:1]([O:3][C:4]([C:6]1[C:10]([C:11]2[CH:16]=[CH:15][C:14]([Br:17])=[CH:13][CH:12]=2)=[CH:9][S:8][C:7]=1[NH:18][... | 1 |
[F:1][C:2]1[C:3]([N:8]2[CH2:13][CH2:12][NH:11][CH2:10][CH2:9]2)=[N:4][CH:5]=[CH:6][CH:7]=1.Cl[CH2:15][C:16]1[NH:20][C:19]2[CH:21]=[CH:22][CH:23]=[CH:24][C:18]=2[N:17]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C)C=O>[F:1][C:2]1[C:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:15][C:16]3[NH:20][C:19]4[CH:21]=[CH:22][CH:23]=[CH:24][C:18]=4[N... | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]2[N:32]=[C:31]([O:33][C@H:34]3[C@H:38]4[O:39][CH2:40][C@@H:41]([OH:42])[C@H:37]4[O:36][CH2:35]3)[N:30](COCC[Si](C)(C)C)[C:5]2=[N:6][C:7]=1[C:8]1[CH:13]=[CH:12][C:11]([C:14]2[N:19]=[CH:18][C:17]([S:20]([CH3:29])(=[N:22]C(=O)C(F)(F)F)=[O:21])=[CH:16][N:15]=2)=[CH:10][CH:9]=1.FC(F)(F)C(O)=O>ClCCl>[... | 2 |
Cl.FC1=C(NN=C1C=1C=NC(=CC1)OC)N.CC(CC(=O)O)CN1CCCCC1>>C(=O)O.FC1=C(NN=C1C=1C=NC(=CC1)OC)NC(CC(CN1CCCCC1)C)=O | 5 |
ClCC=O.NC1=NC(=CC=C1)N>O.CCO[H].C(O)([O-])=O.[Na+]>N=1C=CN2C1C=CC=C2N | 3 |
C[O:2][C:3](=[O:42])[C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([CH2:10][O:11][C:12]2[CH:17]=[CH:16][C:15]([C:18]([N:20]3[C:29]4[C:24](=[CH:25][CH:26]=[CH:27][CH:28]=4)[C@H:23]([N:30]([C:38](=[O:40])[CH3:39])[C:31]4[CH:36]=[CH:35][C:34]([Cl:37])=[CH:33][CH:32]=4)[CH2:22][C@@H:21]3[CH3:41])=[O:19])=[CH:14][CH:13]=2)[CH:5]=1.[Li+].[... | 1 |
OC=1C=C(C=CC1[N+](=O)[O-])S(=O)(=O)N(C=1SC=CN1)CC1=CC=C(C=C1)OC>>NC1=C(C=C(C=C1)S(=O)(=O)N(C=1SC=CN1)CC1=CC=C(C=C1)OC)O | 5 |
C(#N)C=1C=C(C2=C(O[C@]3(CN([C@@H](C3)C(=O)N)C(C(CC3CC3)N(C([C@H](CC3CC3)NC(C(F)(F)F)=O)=O)C)=O)C(N2)=O)C1)F>ClCCl.c1ccncc1.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F>C1(CC1)C[C@@H](C(=O)N(C)[C@H](C(=O)N1C[C@]2(C[C@H]1C#N)C(NC1=C(O2)C=C(C=C1F)C#N)=O)CC1CC1)NC(C(F)(F)F)=O | 3 |
N1(C(CNCC1)C(=O)OC)C(=O)OC(C)(C)C.ClC1=C(C(=O)O)C=CC(=C1)NC=1C=2N(C=CN1)C(=CN2)C2=C(C(=C(C=C2)OC)F)F>N(C)(C)C=O.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=C(C(=O)N2CC(N(CC2)C(=O)OC(C)(C)C)C(=O)OC)C=CC(=C1)NC=1C=2N(C=CN1)C(=CN2)C2=C(C(=C(C=C2)OC)F)F | 3 |
ClCOCC1=CC=CC=C1.CC1C(NC(N1)=O)=O>N(C)(C)C=O.CC(C)(C)[O-].[K+]>C(C1=CC=CC=C1)OCN1C(NC(C1=O)C)=O | 3 |
O=C(C(C(=O)OC)C=1C=C2C=CC=NC2=CC1)C.FC1(CCN(CC1)C=1C(=NNC1N)C1=CC=CC=C1)F>C(C)(=O)O.C(O)([O-])=O.[Na+]>FC1(CCN(CC1)C=1C(=NN2C1NC(=C(C2=O)C=2C=C1C=CC=NC1=CC2)C)C2=CC=CC=C2)F | 3 |
ClC(=O)OCCl.C(=O)(OCC1=CC=CC=C1)N[C@@H](C(C)C)C(=O)OCCO>>C(=O)(OCC1=CC=CC=C1)N[C@@H](C(C)C)C(=O)OCCOC(=O)OCCl | 5 |
C1(CCCCC1)C[Mg]Br.CC=1C=C(C=2N(C1)C=NC2)C=O>C1CCCO1.[Cl-].[NH4+]>C1(CCCCC1)CC(O)C=1C=2N(C=C(C1)C)C=NC2 | 3 |
[Cl:1][C:2]1[CH:21]=[CH:20][CH:19]=[C:18]([Cl:22])[C:3]=1[C:4]([NH:6][C:7]1[CH:8]=[CH:9][CH:10]=[C:11]2[C:16]=1[N:15]=[CH:14][C:13]([CH3:17])=[CH:12]2)=[O:5].BrN1C(=O)CCC1=O.N(C(C)(CC(C)(OC)C)C#N)=NC(C)(CC(OC)(C)C)C#N.BrCC1C=[N:57][C:58]2C(C=1)=CC=C[C:59]=2[NH:65][C:66](=O)C1C(Cl)=CC=CC=1Cl.N1C=CN=C1>C(Cl)(Cl)(Cl)Cl.C(... | 1 |
[Cl:1][C:2]1[C:3]2[N:4]([C:8]([CH:12]3[CH2:15][C:14](=O)[CH2:13]3)=[N:9][C:10]=2[I:11])[CH:5]=[CH:6][N:7]=1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].[C:31]([N:34]1[CH2:39][CH2:38][NH:37][CH2:36][CH2:35]1)(=[O:33])[CH3:32]>ClCCCl>[Cl:1][C:2]1[C:3]2[N:4]([C:8]([CH:12]3[CH2:15][CH:14]([N:37]4[CH2:38][CH2:39][N:34]([C:31](=[O:... | 1 |
ClC1=CC=C(C=C1)B(O)O.CC1(OB(OC1(C)C)C=1C=C(C=CC1)O)C>CCN(CC)CC.C(C)(=O)[O-].[Cu+2].C(C)(=O)[O-]>ClC1=CC=C(OC=2C=C(C=CC2)B2OC(C(O2)(C)C)(C)C)C=C1 | 3 |
N1N=CC2=CC(=CC=C12)C(=O)OC.BrCC#CCOC>>COCC#CCN1N=CC2=CC(=CC=C12)C(=O)OC | 5 |
C(C)(C)(C)[Si](C#CC1=C(C=C(C=C1)C)[N+](=O)[O-])(C)C>CO[H].[OH-].[Na+]>C(#C)C1=C(C=C(C=C1)C)[N+](=O)[O-] | 3 |
FC=1C=C(C2=C(C(=C(O2)CO)C)C1)F>CC#N.I(=O)(=O)C1=C(C(=O)O)C=CC=C1>FC=1C=C(C2=C(C(=C(O2)C=O)C)C1)F | 3 |
C(C)N[C@H](C)C1=NC=C(C(=C1)C1=CC=2N(C(=N1)SC)N=CC2)OC>N(C)(C)C=O.C(C)OCC.IN1C(CCC1=O)=O.S([O-])(O)=O.[Na+]>C(C)N[C@H](C)C1=NC=C(C(=C1)C1=CC=2N(C(=N1)SC)N=CC2I)OC | 3 |
CC=1NC(=CC1C1=NC(=CC=C1)C1=CC=C(C=C1)CC1N(CCCC1)CC1=CC=CC=C1)C>O.CCO[H].Cl.NO>C(C1=CC=CC=C1)N1C(CCCC1)CC1=CC=C(C=C1)C1=CC=CC(=N1)N | 3 |
C(C)(=O)O.C(=N)N.NC1=C(C(=O)OCC2=CC=CC=C2)C=C(C(=C1)OCC1=CC=CC=C1)OC>C(C(C)C)O>C(C1=CC=CC=C1)OC1=C(C=C2C(NC=NC2=C1)=O)OC | 3 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C(CC(=O)OCC)=O>O.C1CCCO1.CO[H].O[Li].O>C(C)(C)(C)OC(=O)N1CCN(CC1)C(CC(=O)O)=O | 3 |
CC1(OB(OC1(C)C)C=1C=C(C=C(C1)C#C[Si](C)(C)C)N1CCN(CC1)C(=O)OC(C)(C)C)C>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.ClC1=CN=CC=C1.C(CC(CCC)C2=C(C(=CC=C2)C(CCC)CCC)N4C(=C(N(C3=C(C=CC=C3C(CCC)CCC)C(CCC)CCC)C4=[Pd](Cl)Cl)Cl)Cl)C>C(#C)C=1C=C(C=C(C1)C1=NC=2C=CC3=C(C2C=C1)C1=C(S3)C(N[C@@H](CN1)C)=O)N1CCN(CC1)C(=O)OC(C)(C)C | 3 |
[C:1]([C:9]1[C:10]([O:19][CH:20]([CH3:28])[CH2:21][CH2:22][O:23]S(C)(=O)=O)=[CH:11][C:12]2[C:17]([CH:18]=1)=[CH:16][CH:15]=[CH:14][CH:13]=2)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C[O:30][C:31](=[O:42])[CH2:32][CH2:33][C:34]1[CH:39]=[CH:38][C:37](O)=[CH:36][C:35]=1[CH3:41].C(=O)([O-])[O-].[Cs+].[Cs+].[OH-].[Na... | 2 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH:12]=[CH:11][N:10]=[CH:9]2)=[CH:4][CH:3]=1.[Br:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20]>C1COCC1>[Br-:13].[F:1][C:2]1[CH:3]=[CH:4][C:5]([N+:8]2[CH:12]=[CH:11][N:10]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[CH:9]=2)=[CH:6][CH:7]=1 | 1 |
N[C:2]1[C:3]2[C:27]([CH3:29])([CH3:28])[C:26](=[O:30])[NH:25][C:4]=2[N:5]=[C:6]([C:8]2[C:16]3[C:11](=[N:12][CH:13]=[CH:14][CH:15]=3)[N:10]([CH2:17][C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=3[F:24])[N:9]=2)[N:7]=1.O.N([O-])=[O:33].[Na+]>FC(F)(F)C(O)=O>[F:24][C:19]1[CH:20]=[CH:21][CH:22]=[CH:23][C:18]=1[CH2:17][N:10]1[... | 2 |
Br.Br[CH2:3][C:4]([C:6]1[CH:11]=[CH:10][N:9]=[CH:8][CH:7]=1)=O.[CH2:12]([NH:14][C:15]([NH2:17])=[S:16])[CH3:13]>C(O)C>[CH2:12]([NH:14][C:15]1[S:16][CH:3]=[C:4]([C:6]2[CH:11]=[CH:10][N:9]=[CH:8][CH:7]=2)[N:17]=1)[CH3:13] | 2 |
FC(CCI)(F)F>C1(=CC=CC=C1)C.c3c(P(c1ccccc1)c2ccccc2)cccc3>[I-].FC(CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)(F)F | 3 |
CI.FC(C(=O)NC1=C(SC=C1)C(=O)OC)(F)F>>COC(=O)C=1SC=CC1N(C(C(F)(F)F)=O)C | 5 |
C(C)(C)OC=1C(=CC=2C(N1)=NN(C2)CC2COCC2)C(=O)OC>O.CO[H].[OH-].[Na+]>C(C)(C)OC=1C(=CC=2C(N1)=NN(C2)CC2COCC2)C(=O)O | 3 |
ClC=1C2=C(N=CN1)CCN(C2)C2=NC=C(C=C2)C.CC1=NC=C(C=N1)[C@@H](C)N>>CC=1C=CC(=NC1)N1CC2=C(N=CN=C2N[C@H](C)C=2C=NC(=NC2)C)CC1 | 5 |
[CH:1]1([CH3:11])[CH2:6][CH2:5][CH:4]([CH:7]([CH3:9])[CH3:8])[CH:3]([OH:10])[CH2:2]1.C1(C)CCC(C(C)C)C(O)C1.C[C@H]1C[C@H](O)[C@@H](C(C)C)CC1>>[CH3:11][C@H:1]1[CH2:2][C@@H:3]([OH:10])[C@H:4]([CH:7]([CH3:9])[CH3:8])[CH2:5][CH2:6]1 | 2 |
BrC=1C=C(C=NC1)C(=O)C1=CN(C=2N=CN=CC21)C(C)(C)C>N.O.O.O.O.O.S(=O)(=O)([O-])[O-].[Cu+2]>NC=1C=C(C=NC1)C(=O)C1=CN(C=2N=CN=CC21)C(C)(C)C | 3 |
C[Si](C)(C)Cl.ClC=1C=C(C#N)C=C(C1)OC1=C(N=CN(C1=O)CC1=C(N=NC(=C1)C1=CC=CC=C1)OC)C(F)(F)F>CC#N>ClC=1C=C(C#N)C=C(C1)OC1=C(N=CN(C1=O)CC=1C(NN=C(C1)C1=CC=CC=C1)=O)C(F)(F)F | 3 |
N1CCOCC1.Br[C:8]1[CH:9]=[C:10]([CH2:14][C:15]([N:17]2[CH2:22][CH2:21][O:20][CH2:19][CH2:18]2)=[O:16])[CH:11]=[CH:12][CH:13]=1.[C:23]([Si:25]([CH3:28])([CH3:27])[CH3:26])#[CH:24].C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C(N(CC)CC)C>Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=... | 2 |
[C:1]([C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([C:15](=[O:22])[C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[CH:10]=1)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[BH4-].[Na+]>C(O)C>[C:1]([C:9]1[CH:10]=[C:11]([CH:12]=[CH:13][CH:14]=1)[CH:15]([OH:22])[C:16]1[CH:17]=[CH:18][CH:19]=[CH:20][CH:21]=1)(=[O:8])[C:2]1[CH:3]=[C... | 1 |
[C:1]([C:3]1[CH:8]=[CH:7][N:6]=[C:5]([NH:9][C:10]2[N:15]=[C:14]([C:16]3[CH:17]=[N:18][C:19]([N:22]4[CH2:26][CH2:25][CH2:24][C@H:23]4[C:27]([O:29]C(C)(C)C)=[O:28])=[CH:20][CH:21]=3)[CH:13]=[C:12]([CH:34]3[CH2:36][CH2:35]3)[CH:11]=2)[CH:4]=1)#[N:2].[C:37]([OH:43])([C:39]([F:42])([F:41])[F:40])=[O:38]>>[F:40][C:39]([F:42]... | 2 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH2:9][CH:10]([NH2:12])[CH3:11])[CH:6]=[CH:7][CH:8]=1.C(=O)([O-])[O-].[K+].[K+].CN(C)C=O.[CH2:24]([O:26][CH:27]([O:30][CH2:31][CH3:32])[CH2:28]Br)[CH3:25]>O>[CH2:24]([O:26][CH:27]([O:30][CH2:31][CH3:32])[CH2:28][NH:12][CH:10]([CH3:11])[CH2:9][C:5]1[CH:6]=[CH:7][CH:8]=[C:3]([O:2][CH3:1])[... | 1 |
NC1=C(C(=NC=N1)NC(C)C1=NC2=CC=C(C=C2C(=C1C1=NC=CC=C1)C(=O)OC)F)C#N>>NC1=C(C(=NC=N1)NC(C)C1=NC2=CC=C(C=C2C(=C1C1=NC=CC=C1)C(=O)O)F)C#N | 5 |
O.C(C=O)(=O)O.BrC=1C=C(C(=NC1)N)N>>BrC=1C=C2NCC(NC2=CC1)=O | 5 |
[N:1]([C:4]1[CH:9]=[C:8]([C:10]([O:12]C)=[O:11])[CH:7]=[C:6]([CH3:14])[C:5]=1[C:15]([O:17]C)=O)=[C:2]=[S:3].CO[C:21]1[C:26]([O:27][CH3:28])=[CH:25][N:24]=[C:23]([NH2:29])[CH:22]=1.[OH-].[Na+].Cl.CN([CH:36]=[O:37])C>>[CH3:28][O:27][C:26]1[CH:21]=[CH:22][C:23]([N:29]2[C:15](=[O:17])[C:5]3[C:4](=[CH:9][C:8]([C:10]([OH:12]... | 2 |
[CH2:1]([O:8][C:9](=[O:18])[NH:10][CH2:11][CH:12]([S:14](Cl)(=[O:16])=[O:15])[CH3:13])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH:19]([N:22]1[CH2:27][CH2:26][CH:25]([NH2:28])[CH2:24][CH2:23]1)([CH3:21])[CH3:20].CCN(C(C)C)C(C)C>ClCCl>[CH2:1]([O:8][C:9](=[O:18])[NH:10][CH2:11][CH:12]([S:14](=[O:16])(=[O:15])[NH:28][CH:2... | 1 |
C[Si](C)(C)C#C.FC=1C=C(C=CC1I)N1C(O[C@H](C1)CN=[N+]=[N-])=O>>FC=1C=C(C=CC1I)N1C(O[C@H](C1)CN1N=NC(=C1)[Si](C)(C)C)=O | 5 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.