smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[N+](=O)([O-])C=1C=C(C=CC1)C=1C=CC(=NC1)N>ClCCl.c1ccncc1.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F.[HH].C(C)(=O)OCC.[Pt](=O)=O>NC=1C=C(C=CC1)C=1C=CC(=NC1)NC(C(F)(F)F)=O | 3 |
C1OCC12CNC2.C(C)(CC)N1N=C(C=2C=NC(=CC21)Cl)I>>C(C)(CC)N1N=C(C=2C=NC(=CC21)Cl)N2CC1(COC1)C2 | 5 |
[CH:1]([C:3]1[CH:4]=[C:5]([CH:24]=[CH:25][CH:26]=1)[O:6][C:7]1[N:16]=[CH:15][C:14]2[CH:13]=[CH:12][C:11]3[C:17]([C:21]([NH2:23])=[O:22])=[N:18][N:19]([CH3:20])[C:10]=3[C:9]=2[N:8]=1)=O.[CH3:27][N:28]1[CH2:33][CH2:32][NH:31][CH2:30][CH2:29]1.C([BH3-])#N.[Na+]>CN(C)C=O.C(O)(=O)C.C(OCC)(=O)C>[CH3:20][N:19]1[C:10]2[C:9]3[N... | 1 |
C(C)C1=C(C=NC=2N1N=C(C2C2=CC(=CC=C2)C(F)(F)F)C)C(=O)OCC>O.C1CCCO1.O[Li].O>C(C)C1=C(C=NC=2N1N=C(C2C2=CC(=CC=C2)C(F)(F)F)C)C(=O)O | 3 |
C(C)(=O)Cl.ClC=1C=C(C=C2NC(C(NC12)=S)(C)C)F>C1CCCO1.O.NN>ClC=1C=C(C=C2NC(C(NC12)=NNC(C)=O)(C)C)F | 3 |
[H-].[Al+3].[Li+].[H-].[H-].[H-].[F:7][C:8]1[C:9]([N:18]2[CH2:22][CH2:21][CH2:20][CH2:19]2)=[N:10][CH:11]=[C:12]([CH:17]=1)[C:13](OC)=[O:14].C(=O)([O-])O.[Na+]>C1COCC1>[F:7][C:8]1[CH:17]=[C:12]([CH2:13][OH:14])[CH:11]=[N:10][C:9]=1[N:18]1[CH2:19][CH2:20][CH2:21][CH2:22]1 | 1 |
Cl.[N:2]1([CH2:12][C:13]([OH:15])=O)[CH:11]2[CH:6]([CH2:7][CH2:8][CH2:9][CH2:10]2)[CH2:5][CH2:4][CH2:3]1.[NH2:16][C@@H:17]([CH2:35][O:36][CH2:37][C:38]1[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=1)[C:18]([NH:20][C:21]1[CH:26]=[CH:25][C:24]([O:27][C:28]2[CH:33]=[CH:32][C:31]([F:34])=[CH:30][CH:29]=2)=[CH:23][CH:22]=1)=[O:19]... | 1 |
[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[NH:8][C:9](=[O:14])[CH2:10][C:11]([OH:13])=O.[OH-].[Na+]>Cl>[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]2[C:3]=1[N:8]=[C:9]([OH:14])[CH:10]=[C:11]2[OH:13] | 1 |
[C:1]1([SH:7])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[O:8]1[CH2:13][CH2:12][CH2:11][CH2:10][CH:9]1[O:14][CH2:15][C:16]#[C:17][CH2:18]Br.O>C(O)C>[O:8]1[CH2:13][CH2:12][CH2:11][CH2:10][CH:9]1[O:14][CH2:15][C:16]#[C:17][CH2:18][S:7][C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
C([O:3][C:4]([C:6]1[S:10][C:9]([CH3:11])=[N:8][C:7]=1[CH3:12])=O)C.[H-].C([Al+]CC(C)C)C(C)C.CCCCCC.CCOC(C)=O.Cl>C(Cl)Cl.CO>[CH3:11][C:9]1[S:10][C:6]([CH2:4][OH:3])=[C:7]([CH3:12])[N:8]=1 | 1 |
I[Si](C)(C)C.ClC=1C=C(C=CC1OC)C1(CC1)C(=O)NC1=CC=C(C(=N1)C=1C=NC(=C(C1)C)OC)C>CC#N.ClCCl>ClC=1C=C(C=CC1OC)C1(CC1)C(=O)NC1=NC(=C(C=C1)C)C1=CNC(C(=C1)C)=O | 3 |
C1(CC1)COC=1C=C(C(=O)O)C=CC1OC(F)F>C1(=CC=CC=C1)C.ClS(Cl)=O>C1(CC1)COC=1C=C(C(=O)Cl)C=CC1OC(F)F | 3 |
ClC=1C=CC(=C(C#N)C1)F>N(C)(C)C=O.C1CCCO1.[Mg].II>C(#N)C=1C=C(C=O)C=CC1F | 3 |
C(CCO)O.C(C1=CC=CC=C1)Br>N(C)(C)C=O.[H-].[Na+].[I-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C1=CC=CC=C1)OCCCO | 3 |
FC1=C(C=C(O[Si](C(C)C)(C(C)C)C(C)C)C=C1OC)I>C1CCCO1.C(C)(=O)OCC.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>FC1=C(C=C(C=C1OC)O)I | 3 |
C(O)(C(F)(F)F)=O.C(O[C:13](=[O:48])[CH2:14][N:15]1[C:23]2[C:18](=[CH:19][CH:20]=[C:21]([C:24]([O:26][CH3:27])=[O:25])[CH:22]=2)[C:17]([CH:28]2[CH2:33][CH2:32][CH2:31][CH2:30][CH2:29]2)=[C:16]1[C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][C:35]=1[NH:40]C(OC(C)(C)C)=O)(C)(C)C.C([O-])(O)=O.[Na+]>C1(C)C=CC=CC=1.O>[CH:28]1([C:17]2[... | 1 |
[F:1][C:2]1[C:9]([F:10])=[C:8](OS(C(F)(F)F)(=O)=O)[CH:7]=[CH:6][C:3]=1[C:4]#[N:5].[C:19]([O:23][C:24]([NH:26][C:27]1[CH:32]=[CH:31][C:30](B(O)O)=[CH:29][CH:28]=1)=[O:25])([CH3:22])([CH3:21])[CH3:20].C(=O)([O-])[O-].[Na+].[Na+]>O1CCOCC1.O.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=... | 1 |
CS(=O)(=O)Cl.BrC=1C=CC2=C(C(N(S2(=O)=O)CC(C(=O)OC)O)C)C1>>BrC=1C=CC2=C(C(N(S2(=O)=O)CCO)C)C1 | 5 |
C([O:4][C:5]1[CH:13]=[C:12]([C:14]([N:16]([CH2:27][C:28]2[CH:33]=[CH:32][CH:31]=[C:30]([O:34][C:35]3[CH:40]=[CH:39][C:38](Cl)=[CH:37][CH:36]=3)[CH:29]=2)[C@@H:17]2[C:26]3[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=3)[CH2:20][CH2:19][CH2:18]2)=[O:15])[C:8]([C:9]([OH:11])=[O:10])=[CH:7][C:6]=1[C:42]([OH:44])=[O:43])(=O)C.C([O-... | 1 |
C(NC(C)C)(C)C.C([Li])CCC.[Br:13][C:14]1[CH:19]=[CH:18][CH:17]=[C:16]([CH3:20])[N:15]=1.[Cl-].[Ce+3].[Cl-].[Cl-].[CH2:25]([N:32]1[CH2:37][CH2:36][C:35](=[O:38])[CH2:34][CH2:33]1)[C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1.[Cl-].[NH4+]>O1CCCC1.C(OCC)(=O)C.CCCCCC>[CH2:25]([N:32]1[CH2:37][CH2:36][C:35]([CH2:20][C:16]2[C... | 1 |
C(CC)S(=O)(=O)Cl.NC=1C=CC(=C(CN2CC(C(CC2)=O)C(C2=CC=CC=C2)C2=CC=CC=C2)C1)OC>c1ccncc1>C(C1=CC=CC=C1)(C1=CC=CC=C1)C1CN(CCC1=O)CC=1C=C(C=CC1OC)NS(=O)(=O)CCC | 3 |
[CH2:1]([NH:8][C@H:9]([C:12]([OH:14])=[O:13])[CH2:10][OH:11])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl[CH2:16][C:17](Cl)=[O:18]>[OH-].[Na+]>[O:18]=[C:17]1[N:8]([CH2:1][C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[C@H:9]([C:12]([OH:14])=[O:13])[CH2:10][O:11][CH2:16]1 | 1 |
C(=C)CC(=O)OC(C)(C)C.BrC1=CC=CC=2N(C(N(C21)C)=O)C2C(NC(CC2)=O)=O>CC#N.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(C)(C)N(C(C)C)CC.CC1=C(C=CC=C1)P(C1=C(C=CC=C1)C)C1=C(C=CC=C1)C>O=C1NC(CCC1N1C(N(C2=C1C=CC=C2/C=C/CC(=O)OC(C)(C)C)C)=O)=O | 3 |
BrC=1C=NC=C(C(=O)OCC)C1.C(C1=CC=CC=C1)OC1=C(C=CC=C1)C=1C(=CC=CC1)B(O)O>>C1(=CC=CC=C1)COC1=C(C=CC=C1)C1=C(C=CC=C1)C=1C=C(C=NC1)C(=O)OCC | 5 |
C(C)(C)(C)OC(NC1=CC=C(C=C1)C=1C(=NC=CC1C)C=C)=O>O.O1CCOCC1.I(=O)(=O)(=O)[O-].[Na+].[Os](=O)(=O)(=O)=O.CC(C)(C)O>C(C)(C)(C)OC(NC1=CC=C(C=C1)C=1C(=NC=CC1C)C=O)=O | 3 |
FC1=C(C(=O)OC)C=CC(=C1)O>BrBr.C(C)(=O)O>FC1=CC(=C(C=C1CS(=O)(=O)C)C1=CN(C(C2=CC=C(C=C12)C=1C=NN(C1)C)=O)C)OC | 3 |
[CH3:1][NH:2][CH2:3][CH2:4][N:5]1[CH2:9][CH2:8][CH2:7][CH2:6]1.P([O-])([O-])([O-])=O.[K+].[K+].[K+].C1(C)C=CC=CC=1.[CH2:25]([O:32][C:33]1[CH:60]=[CH:59][C:58](Br)=[CH:57][C:34]=1[C:35]([NH:37][C:38]1[CH:50]=[C:49]([C:51]2[CH:56]=[CH:55][CH:54]=[CH:53][CH:52]=2)[CH:48]=[CH:47][C:39]=1[C:40]([O:42][C:43]([CH3:46])([CH3:4... | 1 |
[CH:1]1([CH2:7][C:8](Cl)=[O:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[Cl:11][C:12]1[CH:21]=[CH:20][C:19]2[C:18]([NH2:22])=[C:17]([CH3:23])[CH:16]=[CH:15][C:14]=2[N:13]=1.C(N(CC)CC)C.C(=O)(O)[O-].[Na+]>ClCCl>[Cl:11][C:12]1[CH:21]=[CH:20][C:19]2[C:14](=[CH:15][CH:16]=[C:17]([CH3:23])[C:18]=2[NH:22][C:8](=[O:9])[CH2:7][CH:... | 1 |
C(C)(=O)C1=C(C(=NC=C1)Cl)NC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>NC=1C(=NC=CC1C(C)=O)Cl | 3 |
Cl.[Br:2][C:3]1[N:8]=[C:7]([CH2:9][NH2:10])[CH:6]=[CH:5][CH:4]=1.C(N(CC)CC)C.[C:18]([CH2:20][C:21](O)=[O:22])#[N:19].Cl.CN(C)CCCN=C=NCC.O.ON1C2C=CC=CC=2N=N1>CN(C=O)C.C(OCC)(=O)C>[Br:2][C:3]1[N:8]=[C:7]([CH2:9][NH:10][C:21](=[O:22])[CH2:20][C:18]#[N:19])[CH:6]=[CH:5][CH:4]=1 | 1 |
[O:1]1[CH2:6][CH2:5][N:4]([CH:7]2[C:17]3[C:18]4[C:10](=[C:11]([C:19]5[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=5)[NH:12][C:13]=4[CH:14]=[CH:15][CH:16]=3)[CH2:9][CH2:8]2)[CH2:3][CH2:2]1.[CH3:25][Si](C)(C)[N-][Si](C)(C)C.[Na+].CI.O>O1CCCC1>[CH3:25][N:12]1[C:13]2[CH:14]=[CH:15][CH:16]=[C:17]3[CH:7]([N:4]4[CH2:3][CH2:2][O:1][C... | 1 |
[NH2:1][C:2]1[S:3][CH:4]=[C:5](/[C:7](=[N:11]/[O:12][CH:13]([C:22]([O:24][CH:25]([C:32]2[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=2)[C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)=[O:23])[C:14]2[CH:19]=[CH:18][C:17]([OH:20])=[C:16]([OH:21])[CH:15]=2)/[C:8]([OH:10])=[O:9])[N:6]=1.C1(N=C=NC2CCCCC2)CCCCC1.O[N:54]1[C:58]2[CH:5... | 1 |
C(C)(C)(C)OC(C=CCCCCN1C(SC(N1CCC(CCCCC)O)=O)=O)=O>C(=O)(C(F)(F)F)O>OC(CCN1N(C(SC1=O)=O)CCCCC=CC(=O)O)CCCCC | 3 |
Cl.[NH2:2][OH:3].[O:4]=[C:5]1[C:14]2[C:9](=[N:10][CH:11]=[CH:12][CH:13]=2)[O:8][C:7]2[CH:15]=[CH:16][C:17]([CH:19]=O)=[CH:18][C:6]1=2>N1C=CC=CC=1>[O:4]=[C:5]1[C:14]2[C:9](=[N:10][CH:11]=[CH:12][CH:13]=2)[O:8][C:7]2[CH:15]=[CH:16][C:17]([CH:19]=[N:2][OH:3])=[CH:18][C:6]1=2 | 1 |
[CH3:1][N:2]([CH3:28])[C:3]1([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[CH2:8][CH2:7][C:6]([C:9]2[NH:10][C:11]3[C:16]([C:17]=2[CH2:18][CH2:19][CH2:20][OH:21])=[CH:15][CH:14]=[CH:13][CH:12]=3)=[CH:5][CH2:4]1>Br.CCO>[CH3:28][N:2]([CH3:1])[C:3]1([C:22]2[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=2)[CH2:8][CH2:7][CH:6]([C:9... | 1 |
I([O-])(=O)(=O)=O.[Na+].[Cl:7][C:8]1[CH:9]=[C:10]2[NH:28][C:27]([O:29][C@@H:30]3[CH2:34][O:33][C@@H:32]4[C@:35]([CH:39]=C)([OH:38])[CH2:36][O:37][C@H:31]34)=[N:26][C:11]2=[N:12][C:13]=1[C:14]1[CH:19]=[CH:18][C:17]([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)=[CH:16][CH:15]=1.C[OH:42].C(Cl)Cl>C(#N)C.O.CCOC(C)=O.CO.O.... | 1 |
NC=1C=CC(=C(C1)C1=CC=C(C=C1)C(=O)NCC1CC1)C.N1(CCOCC1)C1=CN=CC(=N1)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C1(CC1)CNC(=O)C1=CC=C(C=C1)C1=CC(=CC=C1C)NC(=O)C1=NC(=CN=C1)N1CCOCC1 | 3 |
[N+:1]([C:4]1[CH:5]=[N:6][NH:7][CH:8]=1)([O-:3])=[O:2].I[CH:10]([CH3:12])[CH3:11].C(=O)([O-])[O-].[K+].[K+].O>CN(C)C=O>[CH:10]([N:6]1[CH:5]=[C:4]([N+:1]([O-:3])=[O:2])[CH:8]=[N:7]1)([CH3:12])[CH3:11] | 2 |
C(C)OC(=O)C1CCC(C2=CC(=C(C=C12)C)C#CC1=CC=C(C=C1)CC(=O)OC(C)(C)C)(C)C>O1CCOCC1.C(=O)O>C(C)OC(=O)C1CCC(C2=CC(=C(C=C12)C)C#CC1=CC=C(C=C1)CC(=O)O)(C)C | 3 |
C(=O)(OCC1C2=CC=CC=C2C2=CC=CC=C12)Cl.NCCCCCC(=O)O>O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+]>C(=O)(OCC1C2=CC=CC=C2C2=CC=CC=C12)NCCCCCC(=O)O | 3 |
N1(N=CC=C1)C1=CC=C(CC=2C(=C(C(=C(C(=O)OC)C2)O)C)C)C=C1>N(C)(C)C=O.Cl.[H-].[Na+].C1=CC=C(C=C1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F>CC=1C(=C(C(=O)OC)C=C(C1C)CC1=CC=C(C=C1)N1N=CC=C1)OS(=O)(=O)C(F)(F)F | 3 |
[CH3:1][C:2]1([C:7]2[O:11][C:10]([CH2:12][N:13]3[CH:17]=[C:16]([NH2:18])[CH:15]=[N:14]3)=[CH:9][CH:8]=2)[O:6]CCO1.[Cl:19][C:20]1[CH:25]=[C:24]([F:26])[CH:23]=[CH:22][C:21]=1/[CH:27]=[CH:28]/[C:29](O)=[O:30]>>[C:2]([C:7]1[O:11][C:10]([CH2:12][N:13]2[CH:17]=[C:16]([NH:18][C:29](=[O:30])/[CH:28]=[CH:27]/[C:21]3[CH:22]=[CH... | 1 |
ClC1=C(OC2=CC=CC3=C2C=CO3)C=CC(=C1)[N+](=O)[O-]>CCO[H].Cl.[Fe]>O1C=CC2=C1C=CC=C2OC2=C(C=C(N)C=C2)Cl | 3 |
C1(CC1)B(O)O.COC(CC1=CC(=C(C=C1)OC)Br)=O>O.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].P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C1(CC1)C=1C=C(C=CC1OC)CC(=O)OC | 3 |
Cl[C:2]1[CH:7]=[C:6]([O:8][CH2:9][C:10]#[CH:11])[N:5]=[CH:4][N:3]=1.C(=O)([O-])[O-].[K+].[K+].[CH3:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=1[OH:25].[Cl-].[NH4+]>CN(C)C=O>[CH3:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=1[O:25][C:2]1[CH:7]=[C:6]([O:8][CH2:9][C:10]#[CH:11])[N:5]=[CH:4][N:3]=1 | 1 |
F[C:2]1[CH:3]=[CH:4][C:5]([CH:8]=O)=[N:6][CH:7]=1.[NH:10]1[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11]1.[NH2:16][C:17]1[C:22]([NH2:23])=[C:21]([C:24]2[CH:29]=[CH:28][C:27]([CH2:30][NH:31][C:32](=[O:38])OC(C)(C)C)=[C:26]([F:39])[CH:25]=2)[CH:20]=[CH:19][N:18]=1.[C:40]([C:44]1[O:48][N:47]=[C:46](C([O-])=O)[N:45]=1)([CH3:43])... | 2 |
FC1=C(C=C(C(=O)OCC)C=C1)[N+](=O)[O-]>>NC=1C=C(C(=O)OCC)C=CC1F | 5 |
C1C=CC2N(O)N=NC=2C=1.CCN=C=NCCCN(C)C.[CH3:22][CH:23]([O:25][C:26]1[N:31]=[CH:30][C:29]([C:32]([OH:34])=O)=[CH:28][C:27]=1[C:35]([F:38])([F:37])[F:36])[CH3:24].[F:39][C:40]1[CH:48]=[CH:47][C:46](/[C:49](/[NH:52]O)=[N:50]/[H])=[C:45]2[C:41]=1[C:42]([CH2:54][CH2:55][C:56]([O:58][CH2:59][CH3:60])=[O:57])=[CH:43][NH:44]2.CC... | 1 |
F[P-](F)(F)(F)(F)F.C(C)[O+](CC)CC.NC([C@H](CC1=CC=C(C=C1)Cl)NC(OC(C)(C)C)=O)=O>ClCCl.C(O)([O-])=O.[Na+]>C(C)(C)(C)OC(=O)N[C@H](C(OCC)=N)CC1=CC=C(C=C1)Cl | 3 |
[C:1]1(=[C:8]([C:25]2[CH:30]=[CH:29][CH:28]=[C:27]([OH:31])[CH:26]=2)[C:9]2[CH:14]=[CH:13][C:12](/[CH:15]=[CH:16]/[C:17]([O:19]C(C)(C)C)=[O:18])=[C:11]([F:24])[CH:10]=2)[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.C(O)(C(F)(F)F)=O>C(Cl)Cl>[C:1]1(=[C:8]([C:25]2[CH:30]=[CH:29][CH:28]=[C:27]([OH:31])[CH:26]=2)[C:9]2[CH:14]... | 1 |
ClC1=NC=NC2=CC(=C(C=C12)OC)OCCCCl.C(C)(C)(C)C1=CC(=NO1)NC(=O)NC1=CC(=CC=C1)S>N(C)(C)C=O.C1CCCO1.[H-].[Na+]>C(C)(C)(C)C1=CC(=NO1)NC(=O)NC1=CC(=CC=C1)SC1=NC=NC2=CC(=C(C=C12)OC)OCCCCl | 3 |
C(CCC)C=1OC2=C(C1S(=O)(=O)C1=CC=C(C=C1)OCC1CO1)C=CC=C2>C(Cl)(Cl)(Cl)[H].C(C)(C)N>C(CCC)C=1OC2=C(C1S(=O)(=O)C1=CC=C(C=C1)OCC(CNC(C)C)O)C=CC=C2 | 3 |
[C:1]([C:5]1[CH:12]=[CH:11][C:8]([CH:9]=O)=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[CH2:13]([NH2:21])[CH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.[BH4-].[Na+]>CO.Cl>[C:1]([C:5]1[CH:12]=[CH:11][C:8]([CH2:9][NH:21][CH2:13][CH2:14][C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)=[CH:7][CH:6]=1)([CH3:4])([CH3:3])... | 1 |
C([O:9][CH2:10][CH2:11][N:12]1[C:20]2[C:19](Cl)=[N:18][CH:17]=[N:16][C:15]=2[CH:14]=[CH:13]1)(=O)C1C=CC=CC=1.[NH2:22][C:23]1[CH:39]=[CH:38][C:26]([O:27][C:28]2[CH:36]=[CH:35][CH:34]=[C:33]3[C:29]=2[CH2:30][C:31](=[O:37])[NH:32]3)=[C:25]([Cl:40])[CH:24]=1.C(=O)([O-])O.[Na+]>C(O)(C)C>[Cl:40][C:25]1[CH:24]=[C:23]([NH:22][... | 2 |
ClC=1C=C2C(=C(N(C(C2=CC1)=O)C)CCl)OC>>ClC=1C=C2C(=C(N(C(C2=CC1)=O)C)CN1C(C2=CC=CC=C2C1=O)=O)OC | 5 |
[N:1]([O-:3])=[O:2].[Na+:4].C(O)(=O)/[C:6](=[C:8](\[CH:10]=[O:11])/Br)/Br.[OH2:14]>C(O)C>[CH:10](/[O-:11])=[C:8](\[N+:1]([O-:3])=[O:2])/[CH:6]=[O:14].[OH2:2].[Na+:4] | 1 |
COC1=CC=C(C=N1)N1N=C(C=C1C1=NC=CC(=C1)C)C(=O)OCC>>C(N)(=O)C1=CC(=NC=C1)C1=CC(=NN1C=1C=NC(=CC1)OC)C(=O)OCC | 5 |
ClC1=CC=C(C=N1)NC(NC1=C(C=C(C=C1)[C@@H]1CN(CCO1)C(=O)OC(C)(C)C)C)=O>CC#N.O.C(=O)(C(F)(F)F)O>ClC1=CC=C(C=N1)NC(=O)NC1=C(C=C(C=C1)[C@@H]1CNCCO1)C | 3 |
[C:1]1([C@H:7]([NH:9][C:10]([NH:12][C:13]2[CH:22]=[C:21]3[NH:23][N:24]=[C:19]4[C:20]3=[C:15]([CH2:16][CH2:17][NH:18]4)[N:14]=2)=[O:11])[CH3:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C(N(CC)CC)C.[C:32](Cl)(=[O:34])[CH3:33]>C(Cl)Cl>[C:32]([N:18]1[CH2:17][CH2:16][C:15]2[N:14]=[C:13]([NH:12][C:10]([NH:9][C@@H:7]([C:1]3[CH:2]=[... | 1 |
[Cl:1][C:2]1[CH:7]=[C:6]([NH:8][C:9]2[CH:14]=[CH:13][C:12]([N+:15]([O-:17])=[O:16])=[C:11]([F:18])[CH:10]=2)[CH:5]=[CH:4][N:3]=1.CI.[C:21]([O-])([O-])=O.[K+].[K+].CCOC(C)=O>CN(C=O)C.O>[Cl:1][C:2]1[CH:7]=[C:6]([N:8]([C:9]2[CH:14]=[CH:13][C:12]([N+:15]([O-:17])=[O:16])=[C:11]([F:18])[CH:10]=2)[CH3:21])[CH:5]=[CH:4][N:3]=... | 1 |
NC1=CC=NC=C1.ClC1=C(C=CC(=C1)Cl)C1=CC2=C(N=C(N=C2)S(=O)C)N2C1=NCC2>CS(=O)C>ClC1=C(C=CC(=C1)Cl)C1=CC2=C(N=C(N=C2)NC2=CC=NC=C2)N2C1=NCC2 | 3 |
FC(CNC1=C(C=CC=C1)[N+](=O)[O-])F>>FC(CNC=1C(=CC=CC1)N)F | 5 |
COCCN(C1=NC=C(C=C1)[N+](=O)[O-])C>C(C)(=O)OCC>COCCN(C1=NC=C(C=C1)N)C | 3 |
[CH3:1][NH:2][CH2:3][C:4]1[CH:20]=[C:19]([C:21]([F:24])([F:23])[F:22])[CH:18]=[CH:17][C:5]=1[O:6][C:7]1[CH:8]=[C:9]([CH2:13][C:14]([OH:16])=[O:15])[CH:10]=[CH:11][CH:12]=1.[Cl:25][C:26]1[CH:31]=[CH:30][C:29]([S:32](Cl)(=[O:34])=[O:33])=[CH:28][CH:27]=1>>[Cl:25][C:26]1[CH:31]=[CH:30][C:29]([S:32]([N:2]([CH2:3][C:4]2[CH:... | 1 |
C(C)N1C=C(C(C2=CC(=C(C(=C12)F)F)F)=O)C(=O)O.N1=C(C=CC=C1)C1NCCNC1>c1ccncc1>C(C)N1C=C(C(C2=CC(=C(C(=C12)F)N1CC(NCC1)C1=NC=CC=C1)F)=O)C(=O)O | 3 |
NC1=CC=C2CN(C(C2=C1)=O)C1C(NC(CC1)=O)=O.C(C)(C)(C)OC(=O)N1CC(C1)COC1=CC=C(C(=O)O)C=C1>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>O=C1NC(CCC1N1CC2=CC=C(C=C2C1=O)NC(=O)C1=CC=C(OCC2CN(C2)C(=O)OC(C)(C)C)C=C1)=O | 3 |
Cl.C(C1=CC=CC=C1)(=N)N.C(CCC)N=C=O>[Na].CC(=O)C>C(CCC)NC(=O)NC(C1=CC=CC=C1)=N | 3 |
C(C1=CC=CC=C1)Br.BrCCCCCCCCCCO>>BrCCCCCCCCCCOCC1=CC=CC=C1 | 5 |
O=C1NC(CC[C@@H]1N1C(C2=CC=C(C=C2C1)N1CCN(CC1)C1CC2(C1)CCN(CC2)C(=O)OC(C)(C)C)=O)=O>Cl.O1CCOCC1>C1C(CC12CCNCC2)N2CCN(CC2)C=2C=C1CN(C(C1=CC2)=O)[C@@H]2C(NC(CC2)=O)=O | 3 |
BrC=1C=C(C(=NC1)NC=1SC=C(N1)C)SC=1N(C(=CN1)C(=O)OC)C>C1CCCO1.CC(C)C[AlH]CC(C)C>BrC=1C=C(C(=NC1)NC=1SC=C(N1)C)SC=1N(C(=CN1)CO)C | 3 |
[N:1]1([C:7]2[N:12]=[CH:11][C:10]([C:13]3[CH:18]=[N:17][N:16]4[C:19]([C:22]5[CH:23]=[C:24]([NH:28][C:29]([NH:31][CH2:32][C:33]([F:36])([F:35])[F:34])=[O:30])[CH:25]=[CH:26][CH:27]=5)=[CH:20][N:21]=[C:15]4[CH:14]=3)=[CH:9][CH:8]=2)[CH2:6][CH2:5][NH:4][CH2:3][CH2:2]1.[N:37]1([C:42](Cl)=[O:43])[CH2:41][CH2:40][CH2:39][CH2... | 1 |
[Br-].C(CCCCCCCCCCC)OC(C[N+](CCCN1C(C2=CC=CC=C2C1=O)=O)(C)C)COCCCCCCCCCCCC>>[Br-].NCCC[N+](CC(COCCCCCCCCCCCC)OCCCCCCCCCCCC)(C)C | 5 |
[CH:1]1([C:4]2[O:5][C:6]3[C:7](=[C:9]([C:17]#[N:18])[C:10]([CH3:16])=[C:11]([CH:14]=[CH2:15])[C:12]=3[F:13])[N:8]=2)[CH2:3][CH2:2]1.[H][H]>C(OCC)(=O)C.[C].[Pd]>[CH:1]1([C:4]2[O:5][C:6]3[C:7](=[C:9]([C:17]#[N:18])[C:10]([CH3:16])=[C:11]([CH2:14][CH3:15])[C:12]=3[F:13])[N:8]=2)[CH2:3][CH2:2]1 | 1 |
ClS(=O)(=O)O.ClC1=CC=C(C(=O)O)C=C1>ClCCl>ClC1=C(C=C(C(=O)O)C=C1)S(=O)(=O)Cl | 3 |
[CH3:1][NH:2][C:3]1[C:8]([N+:9]([O-])=O)=[CH:7][CH:6]=[C:5]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[N:4]=1.C(O)C>[Pd].O1CCOCC1>[NH2:9][C:8]1[C:3]([NH:2][CH3:1])=[N:4][C:5]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)=[CH:6][CH:7]=1 | 1 |
ClC=1N=CNC1Cl.Cl.ClCC1=NC2=CC=CC=C2C=C1>CC#N.[OH-].[K+].BrCC>C(C)N1CC(=CC2=CC=CC=C12)C.[Cl-].ClC=1NC=[NH+]C1Cl | 3 |
ClC1=C(C=CC(=C1)O)C1=CC(=CC=C1)F>>ClC1=C(C=C(C(=C1)O)I)C1=CC(=CC=C1)F | 5 |
NC=1C(=NC(=CN1)C1=CC=CC=C1)C(=O)OC>CO[H].[OH-].[Na+]>NC=1C(=NC(=CN1)C1=CC=CC=C1)C(=O)O | 3 |
N1(CCCC1)C#N.Cl.C(CC)C(=O)NC=1C=C(N)C=CC1>C1(=CC=NC=C1)N(C)C.ClC1=CC=CC=C1>Cl.C(CC)C(=O)NC=1C=C(C=CC1)NC(=N)N1CCCC1 | 3 |
[CH:1]([C:4]1[C:9]2[C:10](=[O:32])[N:11]([CH2:15][O:16][C:17]3[N:21]([C:22]4[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=4)[N:20]=[C:19]([C:28]([F:31])([F:30])[F:29])[CH:18]=3)[S:12](=[O:14])(=[O:13])[C:8]=2[CH:7]=[C:6]([O:33][CH2:34][CH2:35][CH2:36][C:37]([O:39]CC2C=CC=CC=2)=[O:38])[CH:5]=1)([CH3:3])[CH3:2].[H][H]>C(OCC)(=O)... | 1 |
[NH2:1][CH:2]1[C:30](=[O:31])[N:4]2[C:5]([C:14]([O:16][CH:17]([C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)[C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)=[O:15])=[C:6]([O:9][S:10]([CH3:13])(=[O:12])=[O:11])[CH2:7][S:8][C@H:3]12.C[Si](NC(N[Si](C)(C)C)=O)(C)C.Cl.[CH2:45]([O:48][N:49]=[C:50]([C:54]1[N:58]=[C:57]([NH2:5... | 1 |
B1(OCC(CO1)(C)C)B2OCC(CO2)(C)C.ClC=1C=C(C2=C(N(C(O2)=O)C)C1)C>O1CCOCC1.C(C)(=O)[O-].[K+].Nc1ccccc1-c2ccccc2[Pd]Cl.Nc3ccccc3-c4ccccc4[Pd]Cl.CC(C)c5cc(C(C)C)c(-c6cccc(c6)P(C7CCCCC7)C8CCCCC8)c(c5)C(C)C.CC(C)c9cc(C(C)C)c(c(c9)C(C)C)-c%10ccccc%10P(C%11CCCCC%11)C%12CCCCC%12>CC1(COB(OC1)C=1C=C(C2=C(N(C(O2)=O)C)C1)C)C | 4 |
FC(CCO)(F)F>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>FC(CCOS(=O)(=O)C)(F)F | 3 |
[CH2:1]([NH:3][C:4]1[CH:9]=[C:8]([O:10][CH3:11])[CH:7]=[CH:6][C:5]=1[C@@H:12]1[CH2:21][CH2:20][C:19]2[CH:18]=[C:17]([O:22]C(=O)C(C)(C)C)[CH:16]=[CH:15][C:14]=2[CH2:13]1)[CH3:2].Cl.[N:30]1([CH2:37][CH2:38][O:39][C:40]2[CH:48]=[CH:47][C:43]([C:44](O)=O)=[CH:42][N:41]=2)[CH2:36][CH2:35][CH2:34][CH2:33][CH2:32][CH2:31]1>>[... | 1 |
CS([O:5][CH2:6][C:7]1[C:15]2[O:14][C:13]([CH2:16][CH3:17])=[CH:12][C:11]=2[CH:10]=[C:9]([O:18][CH2:19][CH3:20])[CH:8]=1)(=O)=O.C(=O)([O-])[O-].[K+].[K+].CN(C)C=O.O[C:33]1[CH:38]=[CH:37][C:36]([CH2:39][CH2:40][C:41]([O:43][CH2:44][CH3:45])=[O:42])=[C:35]([CH3:46])[C:34]=1[CH3:47]>C(OCC)(=O)C>[CH2:19]([O:18][C:9]1[CH:8]=... | 2 |
C(C)(C)(C)OC(=O)N1CCN(CC1)CCCNC(C1=CC(=C(C=C1)NC=1N=CC2=C(N(CC(C(N2C)=O)(F)F)C2CCCC2)N1)OC)=O>ClCCl.C(=O)(C(F)(F)F)O>C1(CCCC1)N1C2=C(N(C(C(C1)(F)F)=O)C)C=NC(=N2)NC2=C(C=C(C(=O)NCCCN1CCNCC1)C=C2)OC | 3 |
FC=1C(=CC=C(C1)N)N1N=CC=C1>>N(=[N+]=[N-])C1=CC(=C(C=C1)N1N=CC=C1)F | 5 |
BrC1=C(C=C(C(=O)O)C=C1)OC.Cl.FCCN>>BrC1=C(C=C(C(=O)NCCF)C=C1)OC | 5 |
COC(C1=C(C=CC(=C1)OC1=CC(=C(C=C1)NS(=O)(=O)C1=CC=C(C=C1)C)NC)NS(=O)(=O)C1=CC=C(C=C1)C)=O>C1CCCO1.[OH-].[Li+]>CNC=1C=C(OC=2C=CC(=C(C(=O)O)C2)NS(=O)(=O)C2=CC=C(C=C2)C)C=CC1NS(=O)(=O)C1=CC=C(C=C1)C | 3 |
Cl.Cl.CN(C1CNC1)C.ClC=1N=C(C2=CC=C(C(=C2C1C#N)F)C1=CC(=CC2=CC=CC=C12)OCOC)N1C2CN(CC1CC2)C(=O)OC(C)(C)C>O.ClCCl.C(=O)(C(F)(F)F)O.C(C)(C)N(C(C)C)CC.CN(C(C)=O)C>C12CNCC(CC1)N2C2=NC(=C(C1=C(C(=CC=C21)C2=CC(=CC1=CC=CC=C21)O)F)C#N)N2CC(C2)N(C)C | 3 |
CC1=CN=C(S1)C=1C=C(C(=O)O)C=C(C1)OC1COC1>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>CC1=CN=C(S1)C=1C=C(C(=O)N[C@H](C)C=2C=NC(=NC2)C(F)(F)F)C=C(C1)OC1COC1 | 3 |
[Cl:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[CH:4][CH:3]=1.[O:9]1[CH:11]([CH3:12])[CH2:10]1>>[OH:9][CH:11]([CH3:12])[CH2:10][NH:6][C:5]1[CH:7]=[CH:8][C:2]([Cl:1])=[CH:3][CH:4]=1 | 1 |
Cl.[CH3:2][N:3]([CH2:5][C:6]1[S:10][C:9]([CH2:11][CH2:12][CH2:13][CH2:14][N:15]2[C:23](=[O:24])[C:22]3C(=CC=CC=3)C2=O)=[CH:8][CH:7]=1)[CH3:4].[OH-:26].[Na+].[OH2:28].NN.[CH2:31]([OH:33])[CH3:32]>>[C:23]([OH:24])(=[O:33])[C:22]([OH:28])=[O:26].[C:31]([OH:24])(=[O:33])[C:32]([OH:28])=[O:26].[CH3:2][N:3]([CH2:5][C:6]1[S:1... | 1 |
[CH2:1]([O:3][C:4]([CH2:6][C:7]1[C:8]([CH3:24])=[C:9]2[C:13](=[C:14]([NH:17][C:18](=[O:23])[C:19]([CH3:22])([CH3:21])[CH3:20])[C:15]=1[CH3:16])[NH:12][CH2:11][CH2:10]2)=[O:5])[CH3:2].I[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33].C([O-])([O-])=O.[K+].[K+].CCOC(C)=O>CN(C=O)C>[CH2:26]([N:12]1[C:13]2[C:... | 1 |
C(C)(=O)OC(C)=O.O1CCN(CC1)C1=CC(NC(=C1)C1=CC=CC=2CC3=CC(=CC=C3SC12)NCC=1C=NC=CC1)=O>c1ccncc1>O1CCN(CC1)C=1C=C(NC(C1)=O)C1=C2SC=3C=CC(=CC3CC2=CC=C1)N(C(C)=O)CC=1C=NC=CC1 | 3 |
C(C)I.NC1=C(C(=O)O)C=C(C(=C1)Cl)C(F)(F)F>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C)OC(C1=C(C=C(C(=C1)C(F)(F)F)Cl)N)=O | 3 |
ClC1=CC=NC2=CC(=C(C=C12)OC)OCCCN1CCOCC1.BrC=1C=C2C=CC(=C(C2=CC1)F)O>C1(=CC=CC=C1)C.C1(=CC=NC=C1)N(C)C>BrC=1C=C2C=CC(=C(C2=CC1)F)OC1=CC=NC2=CC(=C(C=C12)OC)OCCCN1CCOCC1 | 3 |
[Cl:1][C:2]1[C:7]([Cl:8])=[CH:6][CH:5]=[CH:4][C:3]=1[N:9]1[CH2:14][CH2:13][NH:12][CH2:11][CH2:10]1.Cl[CH2:16][CH2:17][CH2:18][C:19]1[C:27]2[C:22](=[CH:23][CH:24]=[C:25]([F:28])[CH:26]=2)[NH:21][CH:20]=1>>[Cl:1][C:2]1[C:7]([Cl:8])=[CH:6][CH:5]=[CH:4][C:3]=1[N:9]1[CH2:14][CH2:13][N:12]([CH2:16][CH2:17][CH2:18][C:19]2[C:2... | 1 |
C(C1=CC=CC=C1)OC=1C=C2C=CNC2=CC1>ClCCl.C(C)(=O)Cl.CC[Al](CC)Cl>C(C1=CC=CC=C1)OC=1C=C2C(=CNC2=CC1)C(C)=O | 3 |
FC=1C=C(CBr)C=CC1.FC([C@@H](C)O)(F)F>N(C)(C)C=O.O.[H-].[Na+]>FC1=CC(=CC=C1)CO[C@@H](C(F)(F)F)C | 3 |
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