smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(=O)(OCC1C2=CC=CC=C2C2=CC=CC=C12)Cl.N[C@]12[C@@H]([C@H]3CC[C@@H]4[C@]5(CC=C(C([C@@H]5CC[C@]4([C@@]3(CC1)C)C)(C)C)C1=CC=C(C(=O)OC)C=C1)C)[C@@H](CC2)C(=C)C>>C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@]12[C@@H]([C@H]3CC[C@@H]4[C@]5(CC=C(C([C@@H]5CC[C@]4([C@@]3(CC1)C)C)(C)C)C1=CC=C(C(=O)OC)C=C1)C)[C@@H](CC2)C(=C)C | 5 |
CC=1C=C(C=CC1OC1=CC2C(N(C=N2)C)C=C1)NC=1C2=C(N=CN1)C=NC(=N2)S(=O)(=O)C.CN1N=CC(=C1C)CN>CS(=O)C>CN1N=CC(=C1C)CNC=1N=CC2=C(N1)C(=NC=N2)NC2=CC(=C(C=C2)OC2=CC1=C(N(C=N1)C)C=C2)C | 3 |
C1(CC1)C=1C=CC2=C(SC(=C2)CO)C1>ClS(Cl)=O>ClCC1=CC2=C(S1)C=C(C=C2)C2CC2 | 3 |
FC=1C=C(CN2N=CC3=CC(=CC=C23)N)C=CC1.N(=[N+]=[N-])[C@H]1[C@@H](CNCC1)O.[Br-].ClC1=NC=NC2=CC=CC(=C12)C[N+](CC)(CC)CC>CC#N>FC=1C=C(CN2N=CC3=CC(=CC=C23)NC2=NC=NC3=CC=CC(=C23)CN2C[C@H]([C@@H](CC2)N=[N+]=[N-])O)C=CC1 | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[C:7]([N:9]2[CH2:14][CH2:13][N:12]([CH3:15])[CH2:11][CH2:10]2)[CH:6]=[CH:5][C:4]=1[NH:16][C:17]1[N:22]=[CH:21][N:20]=[C:19]([N:23]([C:33]2[CH:38]=[CH:37][CH:36]=[C:35]([N+:39]([O-])=O)[CH:34]=2)[C:24]([NH:26][C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)=[O:25])[CH:18]=1.O.O.[Sn](Cl)Cl.C([O-])... | 2 |
C12C(CC(C(CC1)C2)=O)=O.C(C)(=O)[O-].C(C)(=O)[O-].C(C)(=O)[O-].ClC=1C=CC(=C(C1)[Pb+3])C>C1(=CC=CC=C1)C.C(Cl)(Cl)(Cl)[H].C1(=CC=NC=C1)N(C)C>ClC=1C=CC(=C(C1)C1C(C2CCC(C1=O)C2)=O)C | 3 |
Cl.[F:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[NH:9][C:10]1[O:14][C:13]([C:15]([NH:17][C:18]2[CH:23]=[CH:22][C:21]([C@H:24]3[CH2:29][CH2:28][C@H:27]([CH2:30][NH:31]C(=O)OC(C)(C)C)[CH2:26][CH2:25]3)=[CH:20][CH:19]=2)=[O:16])=[N:12][N:11]=1>O1CCOCC1>[NH2:31][CH2:30][C@H:27]1[CH2:28][CH2:29][C@H:24]([C:21]2[CH:20]=[CH:19... | 1 |
C(C=C)(=O)Cl.CC=1C(=C2C=NNC2=CC1)C=1C=C2CN(CC2=CC1)C1CN(C1)C(=O)OC(C)(C)C>C1CCCO1.ClCCl.C(=O)(C(F)(F)F)O.[OH-].[Na+]>CC=1C(=C2C=NNC2=CC1)C=1C=C2CN(CC2=CC1)C1CN(C1)C(C=C)=O | 3 |
BrC1=CC(=NC=C1)C(C)(C)C1=CC=C(C=C1)OC>>BrC1=CC(=NC=C1)C(C)(C)C1=CC=C(C=C1)O | 5 |
N1=CC=C(C=C1)COC1=CC=C2C(NC=NC2=C1)=O>N(C)(C)C=O.ClS(Cl)=O>Cl.ClC1=NC=NC2=CC(=CC=C12)OCC1=CC=NC=C1 | 3 |
BrC1=NC(=CC=C1F)C>>BrC1=NC(=CC(=C1F)I)C | 5 |
[CH2:1]([O:8][C:9]1[CH:10]=[C:11]([CH:27]=[CH:28][C:29]=1[O:30][CH3:31])[CH2:12][N:13]1[C:21]2[N:20]=[C:19]([CH:22]([CH3:24])[CH3:23])[NH:18][C:17]=2[C:16](=[O:25])[NH:15][C:14]1=S)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1>C(O)CC.[Ni]>[CH2:1]([O:8][C:9]1[CH:10]=[C:11]([CH:27]=[CH:28][C:29]=1[O:30][CH3:31])[CH2:12][N:13]... | 1 |
CN1N=CC(=C1)N.ClC1=NC=C2C(=N1)N(N=C2NC=2C=C(C(=O)OCC)C=CC2C)C>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+].CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C.CS(=O)(=O)O[Pd]c1ccccc1-c2ccccc2N.COc3ccc(OC)c(c3P(C4CCCCC4)C5CCCCC5)-c6c(cc(cc6C(C)C)C(C)C)C(C)C>CC1=C(C=C(C(=O)OCC)C=C1)NC1=NN(C2=NC(=NC=C21)NC=2C... | 3 |
[Al].[Al].[Si].[OH:4][CH2:5][CH:6]([CH2:8][OH:9])[OH:7]>>[OH:4][CH2:5][C:6]1([O:9][CH2:8][C@@H:6]([OH:7])[C@@H:5]([OH:4])[C@H:8]1[OH:9])[OH:7] | 2 |
BrC=1C=CC2=C(C1)C=1N=C(NC(C1O2)=O)CCl.[Si](C)(C)(C(C)(C)C)O[C@H]1CNC[C@@H]1O[Si](C)(C)C(C)(C)C>CCO[H]>BrC=1C=CC2=C(C1)C=1N=C(NC(C1O2)=O)CN2C[C@@H]([C@H](C2)O)O | 3 |
COC(C(OC)(OC)OC)=O.BrC1=CC(=C(C(=C1)N)N)F>O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].C(C)(=O)O>BrC=1C=C(C2=C(NC(=N2)C(=O)OC)C1)F | 3 |
CO[CH:3]=[C:4]([C:9]([O:11]C)=O)[C:5]([O:7][CH3:8])=[O:6].[CH3:13][O:14][CH:15]([O:26][CH3:27])[CH2:16][NH:17][C:18]([C:20]1[CH:21]=[N:22][CH:23]=[CH:24][CH:25]=1)=[NH:19].CO>C(OCC)C>[CH3:27][O:26][CH:15]([O:14][CH3:13])[CH2:16][N:17]1[C:9](=[O:11])[C:4]([C:5]([O:7][CH3:8])=[O:6])=[CH:3][N:19]=[C:18]1[C:20]1[CH:21]=[N:... | 1 |
ClC1=NC(=NC=C1C(=O)OCC)C(F)(F)F>O.CCO[H].C(C)(C)N>C(C)(C)NC1=NC(=NC=C1C(=O)OCC)C(F)(F)F | 3 |
C(C1C=CC(C[S:8][C:9]2[CH:10]=[C:11]([O:19][CH2:20][O:21][CH3:22])[C:12](=[O:18])[N:13]([CH2:15][O:16][CH3:17])[CH:14]=2)=CC=1)C.Cl[CH2:26][C:27]1[CH:32]=[CH:31][C:30]([F:33])=[C:29]([F:34])[CH:28]=1>>[F:34][C:29]1[CH:28]=[C:27]([CH:32]=[CH:31][C:30]=1[F:33])[CH2:26][S:8][C:9]1[CH:10]=[C:11]([O:19][CH2:20][O:21][CH3:22]... | 1 |
CS([C:4]1[NH:5][CH:6]=[C:7]([CH2:12][CH2:13][CH2:14][CH3:15])[C:8]=1[N+:9]([O-:11])=[O:10])=O.[CH3:16][C:17]1[NH:21][CH:20]=[N:19][C:18]=1[CH2:22][S:23][CH2:24][CH2:25][NH2:26].[C:27]([OH:34])(=[O:33])/[CH:28]=[CH:29]\[C:30]([OH:32])=[O:31]>C(O)C.C(O)(C)C>[C:27]([OH:34])(=[O:33])/[CH:28]=[CH:29]\[C:30]([OH:32])=[O:31].... | 1 |
[CH2:1]([N:3]([CH2:18][CH3:19])[CH2:4][CH2:5][CH2:6][NH:7][C:8]1[C:16]2[C:11](=[CH:12][CH:13]=[C:14]([NH2:17])[CH:15]=2)[NH:10][N:9]=1)[CH3:2].[ClH:20].C(OCC)C>C(O)C>[ClH:20].[ClH:20].[CH2:18]([N:3]([CH2:1][CH3:2])[CH2:4][CH2:5][CH2:6][NH:7][C:8]1[C:16]2[C:11](=[CH:12][CH:13]=[C:14]([NH2:17])[CH:15]=2)[NH:10][N:9]=1)[C... | 1 |
COC1=CC=C(CN2N=NC(=C2)CCCC=O)C=C1.NC1CCN(CC1)C(\C=C\C1=C(C=C(C=C1)C(F)(F)F)CN1N=C(N=N1)C)=O>ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>COC1=CC=C(CN2N=NC(=C2)CCCCNC2CCN(CC2)C(\C=C\C2=C(C=C(C=C2)C(F)(F)F)CN2N=C(N=N2)C)=O)C=C1 | 3 |
COC1=C(C(=O)Cl)C=C(C=C1)Cl.Cl.COCCOC1=C(C=C(C=C1)CCN)S(N)(=O)=O>>ClC=1C=CC(=C(C(=O)NCCC=2C=CC(=C(C2)S(=O)(=O)N)OCCOC)C1)OC | 5 |
C1(CBr)CC1.CC1C=CC(S(O[CH2:17][CH:18]2[CH2:22][CH2:21][CH2:20][CH2:19]2)(=O)=O)=CC=1.[CH3:23][C:24]1[N:25]=[C:26]([N:34]2[CH2:38][CH2:37][NH:36][C:35]2=[O:39])[S:27][C:28]=1[C:29]([O:31][CH2:32][CH3:33])=[O:30]>>[CH:18]1([CH2:17][N:36]2[CH2:37][CH2:38][N:34]([C:26]3[S:27][C:28]([C:29]([O:31][CH2:32][CH3:33])=[O:30])=[C... | 1 |
C=CC=C.[CH:5]1[CH:6]=[CH:7][C:8]2[C:15](=O)[CH:14]=[CH:13][C:11](=O)[C:9]=2[CH:10]=1>CC1C=CC=CC=1C>[CH:10]1[C:9]2[C:8](=[CH:15][CH:14]=[CH:13][CH:11]=2)[CH:7]=[CH:6][CH:5]=1 | 1 |
N#N.[C:3]([O:7][C:8](=[O:22])[NH:9][C:10]1[N:11]=[C:12]([CH2:15][CH2:16][CH2:17][CH2:18][C:19](=[O:21])[CH3:20])[O:13][CH:14]=1)([CH3:6])([CH3:5])[CH3:4].[H-].[Na+].[F:25][C:26]1[CH:31]=[CH:30][C:29]([C:32]2[O:36][CH:35]=[N:34][C:33]=2[C:37](Cl)=[O:38])=[CH:28][CH:27]=1>C1COCC1.O>[C:3]([O:7][C:8](=[O:22])[N:9]([C:37]([... | 1 |
CN.FC(C1=CC=C(C=C1)C1=C(C(=O)O)C=CC=C1)(F)F>N(C)(C)C=O.ClCCl.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>CNC(=O)C=1C(=CC=CC1)C1=CC=C(C=C1)C(F)(F)F | 3 |
C(C)(=O)C1=NC=CC=N1.C(#C)C=1C=CC2=C(N(C(=N2)OC2COC2)C2=NC(=NC=C2)N)C1>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+]>NC1=NC=CC(=N1)N1C(=NC2=C1C=C(C=C2)C#CC(C)(O)C2=NC=CC=N2)OC2COC2 | 3 |
C(C1=CC=CC=C1)OC(N(C)C)OCC1=CC=CC=C1.NC1=C(C(=NN1)C1=CC(=CC=C1)[N+](=O)[O-])C#N>C1(=CC=CC=C1)C>[N+](=O)([O-])C=1C=C(C=CC1)C1=NNC(=C1C#N)N=CN(C)C | 3 |
Br[C:2]1[C:3]2[N:4]([N:8]=[C:9]([Cl:11])[N:10]=2)[CH:5]=[CH:6][CH:7]=1.[C:12]([O:16][C:17]([N:19]1[CH2:23][CH2:22][CH2:21][CH:20]1[CH2:24][NH2:25])=[O:18])([CH3:15])([CH3:14])[CH3:13]>>[C:12]([O:16][C:17]([N:19]1[CH2:23][CH2:22][CH2:21][CH:20]1[CH2:24][NH:25][C:2]1[C:3]2[N:4]([N:8]=[C:9]([Cl:11])[N:10]=2)[CH:5]=[CH:6][... | 1 |
FC=1C(NC=C(C1I)F)=O.BrCC[C@](C(=O)OCC)(S(=O)(=O)C)C>C(=O)([O-])[O-].[Cs+].[Cs+].C(C)(C)(C)O.O1CCCC1>FC=1C(N(C=C(C1I)F)CC[C@](C(=O)OCC)(S(=O)(=O)C)C)=O | 3 |
N1C(CCC1)=O.BrC1=C(N)C=C(C=C1)C(F)(F)F>>NC1=C(C=CC(=C1)C(F)(F)F)N1C(CCC1)=O | 5 |
[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]=[CH:15][CH:14]=[CH:13][CH:12]=1)=O.[CH3:17][S:18]([CH2:21][C:22](=O)[CH3:23])(=[O:20])=[O:19].[Na]>CC(O)C>[Br:8][C:5]1[CH:4]=[C:3]2[C:2](=[CH:7][CH:6]=1)[N:1]=[C:22]([CH3:23])[C:21]([S:18]([CH3:17])(=[O:20])=[O:19])=[C:9]2[C:11]1[CH:16]=[CH:15][C... | 1 |
[NH2:1][C:2]([CH3:7])([CH2:5][OH:6])[CH2:3][OH:4].[Cl:8][C:9]1[CH:10]=[C:11]2[C:15](=[CH:16][CH:17]=1)[N:14]([CH2:18][C:19]1[CH:27]=[CH:26][C:22]([C:23](O)=[O:24])=[CH:21][CH:20]=1)[C:13](=[O:28])[C:12]2([C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][C:33]=1[Cl:38])[NH:29][CH2:30][CH3:31].C(N(CC)CC)C.F[P-](F)(F)(F)(F)F.N1(O[P+]... | 1 |
C1(CC1)CN1C(N(C(C(=C1)C(=O)O)=O)C1=CC=C(C=C1)F)=O.NC1=CC(=C(OC2=C3C(=NC=C2)N(N=C3N[C@@H](COC)C)CC3=CC=C(C=C3)OC)C=C1)F>N(C)(C)C=O.ClCCl.C(=O)(C(F)(F)F)O.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>C1(CC1)CN1C(N(C(C(=C1)C(=O)NC1=CC(=C(C=C1)OC1=C2C(=NC=C1)NN=C2N[C@@H](COC)C)F)=O)C2=CC=C(C=C2)F)=O | 3 |
[CH3:1][NH:2][CH:3]([CH2:5]/[CH:6]=[CH:7]/[C:8]1[CH:9]=[N:10][CH:11]=[CH:12][CH:13]=1)[CH3:4].[O:14]=[C:15]([OH:27])[C@@H:16]([C@H:18]([C@H:20]([C@@H:22]([C:24]([OH:26])=[O:25])[OH:23])[OH:21])[OH:19])[OH:17].O>C(O)C>[O:14]=[C:15]([OH:27])[C@@H:16]([C@H:18]([C@H:20]([C@@H:22]([C:24]([OH:26])=[O:25])[OH:23])[OH:21])[OH:... | 1 |
BrCC(=O)Cl.C[C@@H]1NC(O[C@@H]1C1=CC=CC=C1)=O>C1CCCO1.C(CCC)[Li].CCCCCC>BrCC(=O)N1C(O[C@@H]([C@@H]1C)C1=CC=CC=C1)=O | 3 |
BrC=1C=C(CN)C=CC1F.CN1C=NC(=C1)C(=O)O>CC#N.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>BrC=1C=C(CNC(=O)C=2N=CN(C2)C)C=CC1F | 3 |
BrCC1CC1.OC1=CC(=NN1C)C(=O)OC>CC#N.ClCCl.C(=O)([O-])[O-].[Cs+].[Cs+]>C1(CC1)COC1=CC(=NN1C)C(=O)OC | 3 |
O[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][NH:18][C:19]1[CH:27]=[CH:26][C:22]([C:23]([OH:25])=[O:24])=[CH:21][CH:20]=1.[BrH:28].S(=O)(=O)(O)O>C(O)(=O)C>[Br:28][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][C... | 1 |
ClC=1C(=NC(=NC1)NC=1N=CN(C1)C)NC1CCC2(CCN(CC2)C(=O)OC(C)(C)C)CC1>ClCCl.Cl.C(C)(=O)OCC>Cl.ClC=1C(=NC(=NC1)NC=1N=CN(C1)C)NC1CCC2(CCNCC2)CC1 | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4](I)[CH:3]=1.[CH2:9]([O:11][C:12]([N:14]1[CH2:19][CH2:18][N:17]([C:20]([CH3:24])([CH3:23])[C:21]#[CH:22])[CH2:16][CH2:15]1)=[O:13])[CH3:10].[CH2:25](N(CC)CC)[CH3:26]>ClCCl.[Cu]I.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.Cl[Pd]Cl>[CH2:9]([O:11][C:12... | 2 |
C(C)OC(CC1CCN(CC1)C(CC1OC(C2=C(C=CC(=C2)Cl)C=2C1=NOC2C(C)C)C2=C(C(=CC=C2)OC)OC)=O)=O>Cl.O1CCOCC1>ClC1=CC2=C(C=C1)C=1C(=NOC1C(C)C)C(OC2C2=C(C(=CC=C2)OC)OC)CC(=O)N2CCC(CC2)CC(=O)O | 3 |
C1CN(CC12CNCC2)C(=O)OC(C)(C)C.C(C1=CC=CC=C1)OC1=NC(=CC=C1C1=C(C=C(C=C1F)Br)F)OCC1=CC=CC=C1>O1CCOCC1.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].C(=O)([O-])[O-].[Cs+].[Cs+].C1(CCCCC1)P(C1=C(C=CC=C1)C1=C(C=CC=C1OC(C)C)OC(C)C)C1CCCCC1>C(C1=CC=CC=C1)... | 3 |
[N+](=O)([O-])C=1C=C(C(=O)O)C=C(C1)NCCC>>NC=1C=C(C(=O)O)C=C(C1)NCCC | 5 |
[CH2:1]([N:9]=[C:10]=[O:11])[CH2:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.[NH2:12][C:13]1[CH:18]=[CH:17][C:16]([N+:19]([O-:21])=[O:20])=[CH:15][C:14]=1[OH:22]>C1(C)C=CC=CC=1>[C:3]1([CH2:2][CH2:1][NH:9][C:10]([NH:12][C:13]2[CH:18]=[CH:17][C:16]([N+:19]([O-:21])=[O:20])=[CH:15][C:14]=2[OH:22])=[O:11])[CH:8]=[CH:7][CH:6... | 1 |
FF.F[B-](F)(F)F.S(=O)(=O)(O)[N+]12CCN(CC1)CC2>CC#N.B(F)(F)F>F[B-](F)(F)F.F[B-](F)(F)F.F[N+]12CC[N+](CC1)(CC2)S(=O)(=O)O | 3 |
ClC1=CC=C(N)C=C1.BrC(C(=O)Cl)C>ClCCl>BrC(C(=O)NC1=CC=C(C=C1)Cl)C | 3 |
C1(C)C=CC(S(O)(=O)=O)=CC=1.[C:12]1([CH:19]=[CH:18][C:16]([OH:17])=CC=1)O.COCN[C:24](=[O:27])[CH:25]=[CH2:26]>CC(OCCOC)=O>[C:24]([O:17][CH2:16][CH2:18][CH2:19][CH3:12])(=[O:27])[CH:25]=[CH2:26] | 1 |
ClC=1N(C=C(N1)[N+](=O)[O-])C[C@@](CO)(C)O.CN(C(=O)Cl)CC1=CC=C(C=C1)OC(F)(F)F>>CN(C(OC[C@](CN1C(=NC(=C1)[N+](=O)[O-])Cl)(C)O)=O)CC1=CC=C(C=C1)OC(F)(F)F | 5 |
COC1C=C2C(=CC=1)NN=C2C(NCC1CCN(CC2SC=C(C(O)=O)N=2)CC1)=O.[CH3:31][O:32][C:33]1[CH:34]=[C:35]2[C:39](=[CH:40][CH:41]=1)[NH:38][N:37]=[C:36]2[C:42]([NH:44][CH2:45][CH:46]1[CH2:51][CH2:50][N:49]([CH2:52][C:53]2[O:57][C:56]([C:58]([O:60]CC)=[O:59])=[CH:55][CH:54]=2)[CH2:48][CH2:47]1)=[O:43]>CCO>[CH3:31][O:32][C:33]1[CH:34]... | 1 |
C(C)(C)(C)OC(NC1CCC(CC1)CNC1=NC(=NC=C1[N+](=O)[O-])NCC1=C2C=CC=NC2=CC=C1)=O>>N[C@@H]1CC[C@H](CC1)CNC1=NC(=NC=C1[N+](=O)[O-])NCC1=C2C=CC=NC2=CC=C1 | 5 |
[CH:1]([C:3]1[CH:8]=[CH:7][C:6]([NH:9][C:10](=[O:12])[CH3:11])=[C:5]([N+:13]([O-:15])=[O:14])[CH:4]=1)=O.[C:16]([CH2:21][CH:22]=P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)([O:18][CH2:19][CH3:20])=[O:17]>ClCCl>[CH2:19]([O:18][C:16](=[O:17])/[C:21](/[CH3:22])=[CH:1]/[C:3]1[CH:8]=[CH:7][C:6]([NH:9][C:10](=[O:12])[CH3:11])=[C:... | 2 |
C1(CCCCC1)NC1=CC=CC=C1>C1(=CC=CC=C1)C.O.ClS(Cl)=O.C(C)(C)N(C(C)C)CC>C1(CCCCC1)N(C(\C=C\C1=CC=CC=C1)=O)C1=CC=CC=C1 | 3 |
C(N[C@H](C(O)=O)CC(C)C)(OC(C)(C)C)=[O:2].[CH2:17]([O:24][C:25](=[O:42])[CH:26]([C:35]([O:37][C:38]([CH3:41])([CH3:40])[CH3:39])=[O:36])[N:27]([C:31]([CH3:34])([CH3:33])[CH3:32])[CH2:28][CH:29]=[CH2:30])[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1.C(Br)C=C>C1COCC1>[CH2:17]([O:24][C:25](=[O:42])[CH:26]([C:35]([O:37][C:... | 1 |
[Si](C)(C)(C(C)(C)C)OC[C@H]1[C@H]([C@H]([C@@H](C1)N1C=CC2=C1N=CN=C2N[C@H]2CCC1=CC=CC=C21)O)O>N(C)(C)C=O.C(=S)(N1C=NC=C1)N1C=NC=C1>[Si](C)(C)(C(C)(C)C)OC[C@@H]1C[C@H]([C@@H]2OC(O[C@@H]21)=S)N2C=CC1=C2N=CN=C1N[C@H]1CCC2=CC=CC=C12 | 3 |
FC(C(=O)OCC)(F)F.C(C)(=O)C1=CC2=C(OCC(N2)=O)C(=C1)C>C1CCCO1.CCO[H].[H-].[Na+].C1COC2=CC=CC=C2OCCOCCOC3=CC=CC=C3OCCO1>FC(C(CC(=O)C1=CC2=C(OCC(N2)=O)C(=C1)C)=O)(F)F | 3 |
C(CCC)#N.FC(COS(=O)(=O)C(F)(F)F)(C)C.IC1=CC=C(C=C1)[C@]1(N[C@@H](CC2=C1NC1=CC=CC=C21)C)C>C([O-])([O-])=O.[K+].[K+]>FC(CN1[C@](C=2NC3=CC=CC=C3C2C[C@H]1C)(C)C1=CC=C(C=C1)I)(C)C | 3 |
Br[C:2]1[CH:8]=[CH:7][CH:6]=[C:5](Br)[C:3]=1[NH2:4].C([O-])([O-])=O.[Na+].[Na+].[F:16][C:17]([F:28])([F:27])[C:18]1[CH:23]=[CH:22][C:21](B(O)O)=[CH:20][CH:19]=1>C1(C)C=CC=CC=1.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)C2C=CC=CC=2)(C2C... | 2 |
[N+:1]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1)([O-])=O.NC1C=CC=CC=1.[C:17](Cl)(Cl)=[O:18]>>[C:4]1([N:1]=[C:17]=[O:18])[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1 | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH3:14])[CH2:9][N:8](C(OC(C)(C)C)=O)[C@H:7]([C:22]([OH:24])=[O:23])[CH2:6]2.[ClH:25]>CO>[ClH:25].[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH3:14])[CH2:9][NH:8][C@H:7]([C:22]([OH:24])=[O:23])[CH2:6]2 | 1 |
C1(=CC=CC=C1)C1N(O1)S(=O)(=O)C1=CC=CC=C1.NC1=NC(=C(C(=N1)SC)C#N)C=1SC=CC1>>NC1=NC(=C(C(=N1)S(=O)C)C#N)C=1SC=CC1 | 5 |
[OH-].[K+].[NH:3]1[C:7]2[CH:8]=[CH:9][CH:10]=[CH:11][C:6]=2[N:5]=[CH:4]1.[NH2:12]OS(O)(=O)=O>O.C(O)C>[NH2:12][N:3]1[C:7]2[CH:8]=[CH:9][CH:10]=[CH:11][C:6]=2[N:5]=[CH:4]1 | 1 |
[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]([CH2:12][CH:13]=O)[CH:6]=[CH:5]2.[F:15][C:16]([Si](C)(C)C)([F:18])[F:17].[F-].C([NH+](CCCC)CCCC)CCC.Cl.CN(C=[O:42])C>>[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]([C:12]([OH:42])([CH3:13])[C:16]([F:18])([F:17])[F:15])[CH:6]=[CH:5]2 | 1 |
[CH2:1]([O:3][C:4]([C:6]1[S:7][C:8]([CH3:13])=[C:9]([CH2:11]Cl)[CH:10]=1)=[O:5])[CH3:2].[C-:14]#[N:15].[K+]>CN(C=O)C.O>[CH2:1]([O:3][C:4]([C:6]1[S:7][C:8]([CH3:13])=[C:9]([CH2:11][C:14]#[N:15])[CH:10]=1)=[O:5])[CH3:2] | 1 |
CI.CC=1C=C(C2=C(CC(O2)CO)C1)[N+](=O)[O-]>C1CCCO1.[H-].[Na+]>COCC1OC2=C(C1)C=C(C=C2[N+](=O)[O-])C | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.NC1=CC=C(C(=N1)[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C)F>ClCCl.C(C)(C)N(C(C)C)CC>NC1=CC=C(C(=N1)[C@]1(N=C(O[C@@H](C1)C(F)(F)F)NC(OC(C)(C)C)=O)C)F | 3 |
NC1=CC=C2C(N(C=3C=CC=CC3C2=C1)CC)=O>ClCCl.c1ccncc1.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F>C(C)N1C=2C=CC=CC2C2=CC(=CC=C2C1=O)NC(C(F)(F)F)=O | 3 |
ClC1=C(C(=O)Cl)C=CC=C1C(F)(F)F.Cl.BrC1=NN=C2N1CCNC2>>BrC1=NN=C2N1CCN(C2)C(=O)C2=C(C(=CC=C2)C(F)(F)F)Cl | 5 |
C(C)I.CC1=CC=2C3C(NC2C=C1)CCN(C3)CCCC(C3=CC=C(C=C3)F)=O>C([O-])([O-])=O.[K+].[K+].C(C)C(=O)C>C(C)N1C2C(C=3C=C(C=CC13)C)CN(CC2)CCCC(C2=CC=C(C=C2)F)=O | 3 |
C(C1=CC=CC=C1)N.ClC1=CC=C(CBr)C=C1.N1CCC(CC1)COC1=C2C(=NC(=NC2=CC=C1)N)N>Cl.O1CCOCC1>Cl.ClC1=CC=C(CN2CCC(CC2)COC2=C3C(=NC(=NC3=CC=C2)N)N)C=C1 | 3 |
C(C=C)(=O)Cl.CC1OC2(CN1)CCN(CC2)C(=O)OC(C)(C)C>O.ClCCl.CCN(CC)CC>C(C=C)(=O)N1C(OC2(C1)CCN(CC2)C(=O)OC(C)(C)C)C | 3 |
O=C1C2C(=CC=CC=2)C(=O)[N:3]1[C@H:12]1[C@@H:17]([NH:18][C:19](=[O:27])[O:20][CH2:21][CH2:22][Si:23]([CH3:26])([CH3:25])[CH3:24])[CH2:16][C@H:15]2[C@@H:13]1[CH2:14]2.NN>C(O)C>[NH2:3][C@H:12]1[C@@H:17]([NH:18][C:19](=[O:27])[O:20][CH2:21][CH2:22][Si:23]([CH3:25])([CH3:24])[CH3:26])[CH2:16][C@H:15]2[C@@H:13]1[CH2:14]2 | 1 |
[C:1]([O:5][K])([CH3:4])([CH3:3])C.N1C=CC=CC=1.I[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=1O.[N+:21]([C:24]1C=C([N+]([O-])=O)C2OC3C=CC=CC=3[C:26]=2[CH:25]=1)([O-:23])=[O:22]>C(COC)OC.[Cu]I>[N+:21]([C:24]1[C:4]2[C:15]3[CH:16]=[CH:17][CH:18]=[CH:19][C:14]=3[O:5][C:1]=2[CH:3]=[CH:26][CH:25]=1)([O-:23])=[O:22] | 1 |
C(C1=CC=CC=C1)OC1=C(C=C(CN(C2=CC=C(C#N)C=C2)N2C=NN=C2)C=C1)C(F)(F)F>[HH].[Pd].CCO.C1CCOC1.CC#N>OC1=C(C=C(CN(C2=CC=C(C#N)C=C2)N2C=NN=C2)C=C1)C(F)(F)F | 3 |
C(C1=CC=CC=C1)OC(CN1C([C@@H](NC2(C1=O)CCCCC2)CC2=CC=CC=C2)=O)=O>CO[H].[HH].[Pd]>C(C1=CC=CC=C1)[C@@H]1NC2(C(N(C1=O)CC(=O)O)=O)CCCCC2 | 3 |
CC1(OC(=O)CC(=O)O1)C.N1=CC=CC2=CC(=CC=C12)C(=O)O>C1(=CC=NC=C1)N(C)C.ClCCl.CCN=C=NCCCN(C)C>CC1(OC(C(C(O1)=O)C(=O)C=1C=C2C=CC=NC2=CC1)=O)C | 3 |
CN[C@@H:3]1[CH2:7][CH2:6][C@H:5]([OH:8])[CH2:4]1.[C:9]([O:13][C:14]([O:16]C(OC(C)(C)C)=O)=O)([CH3:12])([CH3:11])[CH3:10].[CH2:24]([N:26](CC)CC)C>C(Cl)Cl>[C:9]([O:13][C:14](=[O:16])[NH:26][CH2:24][C@H:3]1[CH2:7][CH2:6][C@@H:5]([OH:8])[CH2:4]1)([CH3:12])([CH3:11])[CH3:10] | 1 |
S(Cl)([Cl:3])=O.[O:5]1[C:9]2[CH:10]=[CH:11][CH:12]=[CH:13][C:8]=2[CH:7]=[C:6]1[CH2:14]O>N1C=CC=CC=1.ClCCl.O>[Cl:3][CH2:14][C:6]1[O:5][C:9]2[CH:10]=[CH:11][CH:12]=[CH:13][C:8]=2[CH:7]=1 | 1 |
C1(=CC=CC=C1)NC(NC=1C=2N(N=C(C1)N[C@@H]1CC[C@H](CC1)NC(OC(C)(C)C)=O)C=CN2)=O>>N[C@@H]1CC[C@H](CC1)NC=1C=C(C=2N(N1)C=CN2)NC(=O)NC2=CC=CC=C2 | 5 |
CC(CC1=CC2=CC=CC=C2C=C1)(C)NC(=O)OCC1=CC=CC=C1>>CC(CC1=CC2=CC=CC=C2C=C1)(C)N | 5 |
BrC1=CC=C(CO)C=C1>C1CCCO1.C1=CC=CC=C1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[H-].[K+].C(C)(C)[Si](S)(C(C)C)C(C)C>C(C)(C)[Si](C(C)C)(C(C)C)SC1=CC=C(C=C1)CO | 3 |
Br[C:2]1[CH:3]=[C:4]2[C:9](=[N:10][C:11]=1[CH:12]([O:15][CH3:16])[O:13][CH3:14])[N:8]([C:17]([NH:19][C:20]1[CH:25]=[CH:24][C:23]([C:26]([F:29])([F:28])[F:27])=[CH:22][N:21]=1)=[O:18])[CH2:7][CH2:6][CH2:5]2.[Li]CCCC.CN([CH:38]=[O:39])C.[BH4-].[Na+]>C1COCC1.CO.C(Cl)Cl>[CH3:14][O:13][CH:12]([O:15][CH3:16])[C:11]1[N:10]=[C... | 1 |
C(C1=CC=CC=C1)OC=1C=C(C=CC1OC)C[C@@H](C(=O)OC)NC([C@H](CO)NC(=O)OC(C)(C)C)=O>>N[C@H](C(=O)N[C@H](C(=O)OC)CC1=CC(=C(C=C1)OC)OCC1=CC=CC=C1)CO | 5 |
NC1=C(C=C(C(=C1)C(F)(F)F)Br)NC1CCN(CC1)C(=O)OC(C)(C)C>N(C)(C)C=O.C1CCCO1.C(C)(C)N(C(C)C)CC.ClC(=O)OCC>BrC=1C(=CC2=C(N(C(N2)=O)C2CCN(CC2)C(=O)OC(C)(C)C)C1)C(F)(F)F | 3 |
[OH:1][CH:2]1[CH2:5][N:4]([C:6]2[CH:11]=[CH:10][C:9]([N+:12]([O-])=O)=[CH:8][N:7]=2)[CH2:3]1>[Pd]>[OH:1][CH:2]1[CH2:3][N:4]([C:6]2[CH:11]=[CH:10][C:9]([NH2:12])=[CH:8][N:7]=2)[CH2:5]1 | 1 |
C(C)OC(C(CC(C)C)C=1C=C(C(=CC1)OCC1CC1)C1=CC(=CC=C1)[N+](=O)[O-])=O>>C1(CC1)COC1=CC=C(C=C1C1=CC(=CC=C1)[N+](=O)[O-])C(C(=O)O)CC(C)C | 5 |
[F:1][C:2]([F:34])([F:33])[C:3]1[CH:4]=[C:5]([C@H:13]2[O:17][C:16](=[O:18])[N:15]([CH2:19][C:20]3[CH:25]=[C:24]([C:26]([F:29])([F:28])[F:27])[CH:23]=[CH:22][C:21]=3[CH2:30][OH:31])[C@H:14]2[CH3:32])[CH:6]=[C:7]([C:9]([F:12])([F:11])[F:10])[CH:8]=1.CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O>C(Cl)Cl>[F:34][C:2]([F:1])... | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.OC(C)C=1OC(C2=CC=CC=C2C1C1=CCN(CC1)C(=O)OC(C)(C)C)=O>>BrC(C)C=1OC(C2=CC=CC=C2C1C1=CCN(CC1)C(=O)OC(C)(C)C)=O | 5 |
FC(F)(F)C(O)=O.O.[CH2:9]([O:16][CH2:17][CH2:18][CH:19]1[CH2:24][CH2:23][N:22]([C:25]2[CH:26]=[N:27][CH:28]=[C:29]([O:31][CH2:32][C@H:33]3[CH2:36][CH2:35][N:34]3C(OC(C)(C)C)=O)[CH:30]=2)[CH2:21][CH2:20]1)[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1>C(Cl)Cl>[NH:34]1[CH2:35][CH2:36][C@@H:33]1[CH2:32][O:31][C:29]1[CH:28]... | 1 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-])=O)=[CH:4][C:3]=1[C@:11]1([CH3:20])[C:16]2([CH2:18][CH2:17]2)[CH2:15][O:14][C:13]([NH2:19])=[N:12]1>C(O)C.CCN(CC)CC.[Pd]>[NH2:8][C:5]1[CH:6]=[CH:7][C:2]([F:1])=[C:3]([C@:11]2([CH3:20])[C:16]3([CH2:17][CH2:18]3)[CH2:15][O:14][C:13]([NH2:19])=[N:12]2)[CH:4]=1 | 1 |
ClC1=C(C=CC=C1)C(C)O.COC(=O)C=1SC(=CC1O)Br>>COC(=O)C=1SC(=CC1OC(C)C1=C(C=CC=C1)Cl)Br | 5 |
ClS(=O)(=O)C=1C=C(C(=O)OC)C=C(C1)C(=O)N(CCC)CCC>>NS(=O)(=O)C=1C=C(C(=O)OC)C=C(C1)C(=O)N(CCC)CCC | 5 |
C([N:8]1[CH2:12][C@H:11]2[C@H:13]([NH:16][C:17](=[O:29])[C@@H:18]([N:23]3[CH2:28][CH2:27][O:26][CH2:25][CH2:24]3)[CH2:19][CH:20]([CH3:22])[CH3:21])[CH2:14][CH2:15][C@H:10]2[CH2:9]1)C1C=CC=CC=1.[H][H]>[OH-].[OH-].[Pd+2].C(O)C>[CH3:21][CH:20]([CH3:22])[CH2:19][C@H:18]([N:23]1[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1)[C:17]... | 1 |
[Cl:1][C:2]1[C:3]2[C:7]([C:8]([Cl:12])=[C:9]([Cl:11])[CH:10]=1)=[N:6][N:5]([CH2:13][C:14](=O)[CH3:15])[CH:4]=2.[Si]([O:24][CH:25]([CH3:39])[CH2:26][N:27]1[CH:35]=[C:34]2[C:29]([C:30]([Cl:38])=[C:31]([Cl:37])[CH:32]=[C:33]2[Cl:36])=[N:28]1)(C(C)(C)C)(C)C.[N+:40](C1C(Cl)=C(Cl)C=C(Cl)C=1C=O)([O-])=O>>[NH2:40][C:14]([CH3:1... | 1 |
NC=1C=C(C=NC1)CCC=1C=C(C=CC1OC)NC1=NC(=NC=C1Cl)Cl>>ClC=1C=NC=2NC=3C=NC=C(CCC4=C(C=CC(NC1N2)=C4)OC)C3 | 5 |
BrC1=C(C(=CC(=C1)OC)Cl)Cl>CS(=O)C.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.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].C(C)(=O)[O-].[K+]>ClC1=C(C=C(C=C1Cl)OC)B1OC(C(O1)(C)C)(C)C | 3 |
[I:1]N1C(=O)CCC1=O.[C:9]([C:13]1[N:18]=[C:17]([OH:19])[C:16]([C:20]#[N:21])=[CH:15][CH:14]=1)([CH3:12])([CH3:11])[CH3:10]>ClCCCl.FC(F)(F)C(O)=O>[I:1][C:14]1[CH:15]=[C:16]([C:20]#[N:21])[C:17]([OH:19])=[N:18][C:13]=1[C:9]([CH3:12])([CH3:10])[CH3:11] | 2 |
[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[F:8][C:9]([F:14])([F:13])[C:10]([OH:12])=[O:11].F[C:16](F)(F)[C:17](O)=[O:18].[Cl:22][C:23]1[CH:24]=[N:25][C:26]2[NH:27][C:28]3[CH:29]=[N:30][CH:31]=[C:32]([CH:54]=3)[CH2:33][CH2:34][C:35]3[CH:43]=[C:39]([NH:40][C:41]=1[N:42]=2)[CH:38]=[CH:37][C:36]=3[NH:44][C:45](=[O:53])[C... | 1 |
Cl[CH:2]1[CH2:7][CH2:6][CH2:5][CH2:4][C:3]1=O.[NH2:9][C:10]([NH2:12])=[S:11].C(N(CC)CC)C.Br[CH2:21][C:22]([C:24]1[CH:29]=[CH:28][C:27]([CH3:30])=[CH:26][CH:25]=1)=O>C1(C)C=CC=CC=1.ClCCl.CO>[CH3:30][C:27]1[CH:26]=[CH:25][C:24]([C:22]2[N:12]=[C:10]3[N:9]([C:2]4[CH2:7][CH2:6][CH2:5][CH2:4][C:3]=4[S:11]3)[CH:21]=2)=[CH:29]... | 2 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.