smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
N=1N=C(N2C1C=CC=C2)C2=NC1=C(C=CC=C1C=C2)OCC2(CN(C2)C(=O)OC(C)(C)C)O>ClCCl.COCCN(CCOC)S(F)(F)F>N=1N=C(N2C1C=CC=C2)C2=NC1=C(C=CC=C1C=C2)OCC2(CN(C2)C(=O)OC(C)(C)C)F | 3 |
[C:1]([N:4]1[CH2:9][CH2:8][CH:7]([CH2:10][C:11]([NH:13][C:14]2[CH:19]=[N:18][C:17](Br)=[CH:16][N:15]=2)=[O:12])[CH2:6][CH2:5]1)(=[O:3])[CH3:2].[Cl:21][C:22]1[CH:23]=[C:24](B(O)O)[CH:25]=[C:26]([Cl:28])[CH:27]=1>>[C:1]([N:4]1[CH2:9][CH2:8][CH:7]([CH2:10][C:11]([NH:13][C:14]2[CH:19]=[N:18][C:17]([C:24]3[CH:23]=[C:22]([Cl... | 2 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[C:11]([NH2:13])[CH:12]=1)[N:9]=[CH:8][CH:7]=[C:6]2[CH3:14].[Br:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:21](Cl)=[O:22]>>[Br:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:21]([NH:13][C:11]1[CH:12]=[C:3]([O:2][CH3:1])[CH:4]=[C:5]2[C:10]=1[N:9]=[CH:8][CH:7]=[C:6]2[CH3:14])=[O:2... | 1 |
[C:1]([O:4][C:5]1[CH:6]=[C:7]([CH:20]=[CH:21][CH:22]=1)[C:8]([NH:10][C:11]([CH3:19])([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1)[CH3:12])=[O:9])(=[O:3])C.[OH-].[Na+].O.Cl.[CH:27](N(C(C)C)CC)(C)C.COCCl>CO.O>[CH3:27][O:3][CH2:1][O:4][C:5]1[CH:6]=[C:7]([CH:20]=[CH:21][CH:22]=1)[C:8]([NH:10][C:11]([CH3:19])([C:13]1[CH:... | 1 |
C(C)(=O)OC(C)=O.N1=CC=CC=2CC(C(C12)=O)=NO>[HH].[Pd].C(C)(=O)O>N1=CC=CC=2CC(CC12)NC(C)=O | 3 |
[H-].[Na+].[CH2:3](Br)[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.[ClH:11].[CH2:12]1[C:21]2[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=2)[CH2:15][CH2:14][N:13]1[C:22]1[N:23]=[CH:24][CH:25]=[C:26]2[C:30]([CH3:31])=[C:29]([CH3:32])[NH:28][C:27]=12>O1CCCC1>[ClH:11].[CH2:3]([N:28]1[C:27]2=[C:22]([N:13]3[CH2:14][CH2:15][C:16]4[C:21]... | 1 |
N1N=CC=C1.C(C1=CC=CC=C1)OC=1C=CC(=NC1)F>>C(C1=CC=CC=C1)OC=1C=CC(=NC1)N1N=CC=C1 | 5 |
ClC=1C2=CC=CC=C2N=C2C=CC=CC12.Br.N(N)C=1SCCN1>CCO[H].C(C)(=O)[O-].[Na+]>S1C(NCC1)=NN=C1C2=CC=CC=C2NC=2C=CC=CC12 | 3 |
[F:1][C:2]([F:11])([F:10])[C:3]1[CH:8]=[CH:7][C:6]([NH2:9])=[CH:5][CH:4]=1.[Br:12][C:13]1[CH:14]=[C:15]([CH:18]=[CH:19][CH:20]=1)[CH:16]=O.[CH2:21]=[C:22]([CH3:24])[CH3:23].FC(F)(F)S([O-])(=O)=O.[Yb+3].FC(F)(F)S([O-])(=O)=O.FC(F)(F)S([O-])(=O)=O>C(#N)C.C(OCC)(=O)C>[Br:12][C:13]1[CH:14]=[C:15]([CH:16]2[CH2:21][C:22]([CH... | 1 |
Cl.[NH:2]1[CH2:5][CH2:4][CH2:3]1.C(N(CC)CC)C.[OH:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=1/[CH:20]=[C:21]1/[C:22](=[O:27])[NH:23][C:24](=S)[S:25]/1>C(O)C>[N:2]1([C:24]2[S:25]/[C:21](=[CH:20]\[C:15]3[CH:16]=[CH:17][CH:18]=[CH:19][C:14]=3[OH:13])/[C:22](=[O:27])[N:23]=2)[CH2:5][CH2:4][CH2:3]1 | 2 |
N1=C(C=CC2=CC=CC=C12)N1CC(C1)O.ClC=1N=NC(=CC1N1CCC(CC1)C(C)=O)Cl>N(C)(C)C=O.[H-].[Na+]>ClC1=CC(=C(N=N1)OC1CN(C1)C1=NC2=CC=CC=C2C=C1)N1CCC(CC1)C(C)=O | 3 |
C1(CCCCC1)=O.N(N)C1=NC=CN=C1>CCO[H]>C1(CCCCC1)=NNC1=NC=CN=C1 | 3 |
[F:1][C:2]([F:15])([F:14])[C:3]1[CH:12]=[C:11]2[C:6]([C:7]([SH:13])=[CH:8][CH:9]=[N:10]2)=[CH:5][CH:4]=1.[Br:16][CH2:17][CH2:18][CH2:19][CH2:20]Br.C([O-])([O-])=O.[K+].[K+]>C(Cl)(Cl)Cl.[Br-].C([N+](CCCC)(CCCC)CCCC)CCC.O>[Br:16][CH2:17][CH2:18][CH2:19][CH2:20][S:13][C:7]1[C:6]2[C:11](=[CH:12][C:3]([C:2]([F:1])([F:14])[F... | 2 |
[CH2:1]([Cl:4])[CH:2]=[CH2:3].[N:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1>O>[CH2:1]([Cl:4])[CH:2]=[CH2:3].[NH+:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1 | 1 |
S1C2SCC(C(O)=O)C[C:4]=2[CH:3]=[CH:2]1.[C:13]1(P(N=[N+]=[N-])(C2C=CC=CC=2)=O)C=CC=C[CH:14]=1.C(O[C:35]([NH:37][CH:38]1[CH2:43][S:42][C:41]2[S:44][CH:45]=[CH:46][C:40]=2[CH2:39]1)=O)(C)(C)C.[C:47](O[C:52]([NH:54][CH:55]1[CH2:60][S:59][C:58]2[S:61][C:62]([C:64]([CH3:67])([CH3:66])[CH3:65])=[CH:63][C:57]=2[CH2:56]1)=O)(C)(... | 1 |
C[O:2][C:3]([C:5]1[N:9]=[CH:8][N:7]([C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([Cl:16])[CH:11]=2)[N:6]=1)=[O:4].[OH-].[Na+]>C1COCC1.O>[Cl:16][C:12]1[CH:11]=[C:10]([N:7]2[CH:8]=[N:9][C:5]([C:3]([OH:4])=[O:2])=[N:6]2)[CH:15]=[CH:14][CH:13]=1 | 1 |
[CH3:1][O:2][C:3]1[CH:48]=[CH:47][C:6]([CH2:7][N:8]([CH2:38][C:39]2[CH:44]=[CH:43][C:42]([O:45][CH3:46])=[CH:41][CH:40]=2)[C:9]2[N:14]=[CH:13][C:12]([C:15]3[C:16]4[CH2:29][CH2:28][N:27]([C:30]5[S:31][CH:32]=[C:33]([C:35]([OH:37])=O)[N:34]=5)[C:17]=4[N:18]=[C:19]([N:21]4[CH2:26][CH2:25][O:24][CH2:23][CH2:22]4)[N:20]=3)=... | 1 |
C(N1C=CN=C1)(N1C=CN=C1)=O.[F:13][C:14]([F:19])([CH3:18])[C:15](O)=[O:16].[Br:20][C:21]1[CH:22]=[C:23]([N:27]2[C:35]3[C:30](=[CH:31][C:32]([O:36][C@H:37]([C:46]4[CH:47]=[N:48][C:49]([O:52][CH3:53])=[CH:50][CH:51]=4)[C@@H:38]([NH2:45])[CH2:39][O:40][C:41]([CH3:44])([CH3:43])[CH3:42])=[CH:33][CH:34]=3)[CH:29]=[N:28]2)[CH:... | 2 |
CS(O[CH2:6][CH2:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][N:9]=1)(=O)=O.[CH:14]1([NH:20][C:21]([C:23]2[C:24]([SH:29])=[N:25][CH:26]=[CH:27][CH:28]=2)=[O:22])[CH2:19][CH2:18][CH2:17][CH2:16][CH2:15]1.C(=O)([O-])[O-].[K+].[K+].C(#N)C>O>[CH:14]1([NH:20][C:21]([C:23]2[C:24]([S:29][CH2:6][CH2:7][C:8]3[CH:13]=[CH:12][CH:11]=[CH... | 2 |
[Cl:1][C:2]1[C:7]([C:8]2[NH:9][CH:10]=[C:11]([C:13]3[N:14]([CH:19]([CH3:21])[CH3:20])[N:15]=[C:16]([CH3:18])[N:17]=3)[N:12]=2)=[CH:6][N:5]=[C:4]([O:22][CH3:23])[CH:3]=1.C1(=O)O[CH2:27][CH2:26][O:25]1>C1(C)C=CC=CC=1>[Cl:1][C:2]1[CH:3]=[C:4]([O:22][CH3:23])[N:5]=[CH:6][C:7]=1[C:8]1[N:9]([CH2:27][CH2:26][OH:25])[CH:10]=[C... | 1 |
[C:1]([CH:5](O)[C:6]([CH3:9])([CH3:8])[CH3:7])([CH3:4])([CH3:3])[CH3:2].P(Br)(Br)[Br:12]>C1C=CC=CC=1>[C:1]([CH:5]([Br:12])[C:6]([CH3:9])([CH3:8])[CH3:7])([CH3:4])([CH3:3])[CH3:2] | 1 |
BrC=1C=CC(=NC1)OCC[Si](C)(C)C>N(C)(C)C=O.C1CCCO1.C(CCC)[Li].C(C)(C)NC(C)C.C(C)(C)[N-]C(C)C.[Li+].[Cl-].[NH4+]>BrC1=CN=C(C=C1C=O)OCC[Si](C)(C)C | 3 |
S(=O)(=O)(N)N.O1C(OC2=C1C=CC=C2)CN>O1CCOCC1>O1C(OC2=C1C=CC=C2)CNS(=O)(=O)N | 3 |
[C:1](O)(=O)[CH3:2].[NH:5]1[CH2:15][CH2:14][CH:8]([C:9]([O:11][CH2:12][CH3:13])=[O:10])[CH2:7][CH2:6]1.C(O[BH-](O[C:26](=[O:28])[CH3:27])OC(=O)C)(=O)C.[Na+].[C:30](=[O:33])(O)[O-].[Na+]>ClCCl>[CH2:12]([O:11][C:9]([CH:8]1[CH2:7][CH2:6][N:5]([CH:2]2[CH2:1][CH2:15][N:5]([C:30]([O:28][CH2:26][CH3:27])=[O:33])[CH2:6][CH2:7]... | 1 |
C(C1=CC=CC=C1)(=O)Cl.CCC(CC(CC)O)O>C1CCCO1.c1ccncc1>C(C1=CC=CC=C1)(=O)OC(CC)CC(CC)OC(C1=CC=CC=C1)=O | 3 |
OCCN1CCCC1.COC1=C(C=CC(=C1)C=1C=C2C(=NC1)NC=C2C2=C(C=CC=C2)OC)O>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.N(=NC(=O)OC(C)C)C(=O)OC(C)C>COC1=C(C=CC=C1)C1=CNC2=NC=C(C=C21)C2=CC(=C(C=C2)OCCN2CCCC2)OC | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.N1=C(C=CC=C1)C1(CCC1)C1NCCC2=CC=C(C=C12)O>>OC1=CC=C2CCN(C(C2=C1)C1(CCC1)C1=NC=CC=C1)C(=O)OC(C)(C)C | 5 |
[C-]#N.[Na+].CC1=NN(C(=N1)C)C1=CC(=NC(=N1)S(=O)(=O)C)[C@H]1[C@@H](C1)C1=NC2=C(N1C)C=CC=C2>>CC1=NN(C(=N1)C)C1=NC(=NC(=C1)[C@H]1[C@@H](C1)C1=NC2=C(N1C)C=CC=C2)C#N | 5 |
C(#N)C=1C=NN2C1N(C(=C(C2=O)CC)C(=O)OCC)C>N>C(#N)C=1C=NN2C1N(C(=C(C2=O)CC)C(=O)N)C | 3 |
COCCBr.O=S1(CCN(CC1)CCNS(=O)(=O)C1=C(C=CC=C1)[N+](=O)[O-])=O>N(C)(C)C=O.O.C(=O)([O-])[O-].[Cs+].[Cs+]>O=S1(CCN(CC1)CCN(S(=O)(=O)C1=C(C=CC=C1)[N+](=O)[O-])CCOC)=O | 3 |
C1(C2C=CC=CC=2)C=CC=CC=1[NH:7][N:8]=[C:9]([C:12]#[N:13])[C:10]#[N:11].N[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=1[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1.C(#N)CC#N.O.[NH2:39][NH2:40]>>[C:22]1([C:27]2[CH:32]=[C:31]([NH:7][N:8]=[C:9]3[C:10]([NH2:11])=[N:40][N:39]=[C:12]3[NH2:13])[CH:30]=[CH:29][CH:28]=2)[CH:23]=... | 1 |
[C:1]1([C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)[CH:6]=[CH:5][C:4]([CH2:7][N:8]2[C:17]3[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=3)[C:11](=S)[C:10]([C:19]([O:21]CC)=O)=[CH:9]2)=[CH:3][CH:2]=1.[C:30]1([NH:36][NH2:37])[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1.C(OC(OC(OC(C)(C)C)=O)=O)(C)(C)C>C(O)C>[C:1]1([C:24]2[CH:25]=[C... | 1 |
[CH3:1][CH2:2][CH2:3][CH2:4][C@@H:5]([NH:9][C:10]([O:12][CH2:13][CH:14]1[C:26]2[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=2)[C:20]2[C:15]1=[CH:16][CH:17]=[CH:18][CH:19]=2)=[O:11])[C:6]([OH:8])=O.N=C=N.Cl.[CH3:31][O:32][C:33](=[O:36])[CH2:34][NH2:35].C1C=NC2N(O)N=NC=2C=1.C(N(C(C)C)CC)(C)C>ClCCl>[CH:16]1[C:15]2[CH:14]([CH2:13... | 1 |
Cl.C(C)S(=O)(=O)C1=CC(=C(OC2C(N(CC2)C2CCNCC2)=O)C=C1)F.CS(=O)(=O)ON=C(C)Cl>>C(C)S(=O)(=O)C1=CC(=C(OC2C(N(CC2)C2CCN(CC2)C2=NC(=NS2)C)=O)C=C1)F | 5 |
NC1=C(C(=C(C=C1)C=1C2=C(C(N(C1)C)=O)N(C=C2)S(=O)(=O)C2=CC=C(C=C2)C)OC2=C(C=C(C=C2)F)F)[N+](=O)[O-]>ClCCl.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F.CCN(CC)CC>FC1=C(OC=2C(=C(C=CC2C=2C3=C(C(N(C2)C)=O)N(C=C3)S(=O)(=O)C3=CC=C(C=C3)C)NC(C(F)(F)F)=O)[N+](=O)[O-])C=CC(=C1)F | 3 |
ClC1=NC=C(C=C1)C#N.Cl.OC[C@H]1CN(C(O1)=O)C1=CC(=C(C=C1)N1CCNCC1)F>CC#N.CCN(CC)CC>OC[C@H]1CN(C(O1)=O)C1=CC(=C(C=C1)N1CCN(CC1)C1=NC=C(C=C1)C#N)F | 3 |
C(C)(C)(C)OC(=O)NC1=C(C=C(C=N1)NC(C(=O)O)=O)C.CC1CCC(NC1)C1CC(NC1)=O>N(C)(C)C=O.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>CC=1C(=NC=C(C1)NC(C(=O)N1C(CCC(C1)C)C1CNC(C1)=O)=O)NC(OC(C)(C)C)=O | 3 |
CC(C#N)(C)C1=C(C=CC=C1)[N+](=O)[O-]>>CC(CN)(C)C1=C(C=CC=C1)[N+](=O)[O-] | 5 |
ClC=1C=C2CCC[C@]3(C2=CC1)CN(C1=C(OC3)C=CC(=C1)C(=O)OC)CCCCC=C>C1CCCO1.CO[H].Cl.[OH-].[Li+].O[Li].O>ClC=1C=C2CCC[C@]3(C2=CC1)CN(C1=C(OC3)C=CC(=C1)C(=O)O)CCCCC=C | 3 |
COC(CC1=CC=C(C=C1)C#CC1=C(C(=C(C(=C1)C(C)(C)C)OC(C)C)C=O)C)=O>>COC(CC1=CC=C(C=C1)C#CC1=C(C(=C(C(=C1)C(C)(C)C)OC(C)C)CO)C)=O | 5 |
C1(CCCC1)=O.ICI>C1CCCO1.Cl.[Sm]>ICC1(CCCC1)O | 3 |
CC1CCCC(C)(C)C=1/C=C/C(/C)=C/C=C/C(/C)=C/C=O.[CH:22]1[CH:27]=[C:26]2[C:28]([O:30][C:31]3([C:41]4[CH:42]=[CH:43][C:44]([O-:46])=[CH:45][C:40]=4[O:39][C:33]4[CH:34]=[C:35]([O-:38])[CH:36]=[CH:37][C:32]3=4)[C:25]2=[CH:24][CH:23]=1)=[O:29].[Na+].[Na+]>CCN(C(C(C1C=CC=CC=1)CO)=O)CC1C=CN=CC=1>[CH:23]1[CH:22]=[CH:27][C:26]([C:... | 2 |
CI.C(C1=CC=CC=C1)NCCC1CCN(CC1)C(=O)OC(C)(C)C>>C(C1=CC=CC=C1)N(CCC1CCN(CC1)C(=O)OC(C)(C)C)C | 5 |
C(=O)([O-])[O-].[K+].[K+].O.[CH3:8][N:9]1[CH:13]=[C:12](B2OC(C)(C)C(C)(C)O2)[CH:11]=[N:10]1.Br[C:24]1[C:25]([F:42])=[C:26]([CH:39]=[CH:40][CH:41]=1)[CH2:27][CH2:28][O:29][CH2:30][CH2:31][C:32]([O:34][C:35]([CH3:38])([CH3:37])[CH3:36])=[O:33]>C(#N)C>[F:42][C:25]1[C:24]([C:12]2[CH:11]=[N:10][N:9]([CH3:8])[CH:13]=2)=[CH:4... | 1 |
[C:1]1(=O)[C:12]2=[C:13]3[C:8](=[CH:9][CH:10]=[CH:11]2)[CH2:7][CH2:6][CH2:5][CH:4]3[CH2:3][CH2:2]1.[BH4-].[Na+].[Cl-].[Al+3].[Cl-].[Cl-]>O1CCCC1.C(OCC)(=O)C>[CH2:11]1[C:12]2=[C:13]3[C:4](=[CH:3][CH:2]=[CH:1]2)[CH2:5][CH2:6][CH2:7][CH:8]3[CH2:9][CH2:10]1 | 1 |
Br[C:2]1[CH:6]=[CH:5][S:4][C:3]=1[CH:7]=[O:8].COCCOC.[Cl:15][C:16]1[CH:21]=[CH:20][C:19](B(O)O)=[CH:18][CH:17]=1.C(=O)([O-])[O-].[Na+].[Na+]>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=CC=CC=2)C2C=CC=CC=2)=CC=1.O>[Cl:15... | 1 |
O[C:2]1[C:11]([N+:12]([O-:14])=[O:13])=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][C:3]=1[O:15][CH3:16].C(Cl)(=O)C([Cl:20])=O.O>CN(C=O)C>[Cl:20][C:2]1[C:11]([N+:12]([O-:14])=[O:13])=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][C:3]=1[O:15][CH3:16] | 1 |
[C:1]1([CH2:7][CH2:8][N:9]2[C:17]3[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=3)[CH:11]=[C:10]2[C:18]([OH:20])=O)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:21][CH:22]([CH3:42])[CH2:23][NH:24][C@@H:25]1[CH2:30][N:29]([C:31]([O:33][C:34]([CH3:37])([CH3:36])[CH3:35])=[O:32])[CH2:28][C@H:27]([C:38]([O:40]C)=O)[CH2:26]1.[CH:43]([N:4... | 1 |
[CH3:1][C:2]1[N:6](C=CC)[C:5]2[CH:10]=[CH:11][C:12]3[C@@H:13]([O:31][CH2:32][CH2:33][O:34][CH3:35])[C@H:14]([O:24][C:25](=[O:30])[C:26]([CH3:29])([CH3:28])[CH3:27])[C@@H:15]([C:18]4[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=4)[O:16][C:17]=3[C:4]=2[N:3]=1.[Mn]([O-])(=O)(=O)=O.[K+]>CC(C)=O>[CH3:1][C:2]1[NH:6][C:5]2[CH:10]=[CH... | 2 |
BrC1=CC=C(C(=N1)C(=O)O)Cl>>BrC1=CC=C(C(=N1)C(=O)OC)Cl | 5 |
C(OC([N:8]1[CH:13]2[CH2:14][CH2:15][CH:9]1[C:10]([C:35](O)=[O:36])=[C:11]([C:16]1[CH:21]=[CH:20][C:19]([CH2:22][CH2:23][CH2:24][O:25][C:26]3[C:31]([F:32])=[CH:30][CH:29]=[C:28]([F:33])[C:27]=3[F:34])=[CH:18][CH:17]=1)[CH2:12]2)=O)(C)(C)C.[CH:38]1([NH:41][CH2:42][C:43]2[CH:48]=[CH:47][CH:46]=[C:45]([Cl:49])[C:44]=2[Cl:5... | 2 |
C1(CCCC1)C[C@@H](C(=O)O)CN(OCC1=CC=CC=C1)C=O.FC=1C(=NC(=NC1NN)C)N1C[C@H](C(C1)(C)C)O>N(C)(C)C=O.CN1CCOCC1.CCN=C=NCCCN(C)C.ON1N=NC2=C1N=CC=C2>C1(CCCC1)C[C@H](CN(C=O)OCC1=CC=CC=C1)C(=O)NNC1=NC(=NC(=C1F)N1CC([C@@H](C1)O)(C)C)C | 3 |
BrC1=CN=C(C2=CC=CC=C12)OC.NCCCOC=1C=C2C=CC(N(C2=CC1)C)=O>C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].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.CC(C)(C)[O-].[Na+]>COC1=NC=C(C2=CC=CC=C12)NCCCOC=1C=C2C=CC(N(C2=CC1)C)... | 3 |
[CH2:1]([NH2:4])[CH2:2][CH3:3].[CH2:5]1[O:15][C:8]2([CH2:13][CH2:12][C:11](=O)[CH2:10][CH2:9]2)[O:7][CH2:6]1.[C:16]([OH:21])(=[O:20])[C:17]([OH:19])=[O:18]>C(O)C.C(O)(C)C.CO.[Pd]>[C:16]([OH:21])(=[O:20])[C:17]([OH:19])=[O:18].[CH2:5]1[O:15][C:8]2([CH2:13][CH2:12][CH:11]([NH:4][CH2:1][CH2:2][CH3:3])[CH2:10][CH2:9]2)[O:7... | 1 |
C(C)(C)(C)OC(NCC1=CC(=CC=C1)C1CCNCC1)=O.[Si](C)(C)(C(C)(C)C)OCC1=C(C=CC=C1OC)/C=C/C(=O)O>>[Si](C)(C)(C(C)(C)C)OCC1=C(C=CC=C1O)/C=C/C(=O)N1CCC(CC1)C=1C=C(CNC(OC(C)(C)C)=O)C=CC1 | 5 |
BrC=1SC=CN1.OCC1=C(NC=2N=C(SC21)SC)C(=O)OCC>[Cu]I.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].CN[C@H]1[C@@H](CCCC1)NC>OCC1=C(N(C=2N=C(SC21)SC)C=2SC=CN2)C(=O)OCC | 3 |
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([C:7]2([CH3:20])[C:12](=[C:13]=[S:14])[C:11](=[C:15]=[S:16])[CH2:10][CH2:9][C:8]2=[CH:17][CH:18]=[O:19])[CH:2]=1.[BH4-].[Na+].C(OCC)(=O)C.O>CO>[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([C:7]2([CH3:20])[C:12](=[C:13]=[S:14])[C:11](=[C:15]=[S:16])[CH2:10][CH2:9][C:8]2=[CH:17][CH2:18][OH:19])[CH:2]=1 | 1 |
[CH2:1]([O:3][C:4](=[O:15])[CH:5]=[CH:6][C:7]1[CH:12]=[CH:11][C:10]([NH2:13])=[C:9]([OH:14])[CH:8]=1)[CH3:2].C([O-])(O)=O.[Na+].[Cl:21][CH2:22][C:23](Cl)=[O:24]>C(Cl)(Cl)Cl>[CH2:1]([O:3][C:4](=[O:15])[CH:5]=[CH:6][C:7]1[CH:12]=[CH:11][C:10]([NH:13][C:23](=[O:24])[CH2:22][Cl:21])=[C:9]([OH:14])[CH:8]=1)[CH3:2] | 1 |
N(=[N+]=[N-])CC1=CN=C(S1)C#N>O.C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3>NCC1=CN=C(S1)C#N | 3 |
C(C1=CC=CC=C1)(=O)OCC1(CC=C(CC1)OS(=O)(=O)C(F)(F)F)C(=O)OCC>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>C(C1=CC=CC=C1)(=O)OCC1(CC=C(CC1)B1OC(C(O1)(C)C)(C)C)C... | 3 |
CN(C1=CC(=C(C(=O)N)C(=C1)C)F)C>>CN(C1=CC(=C(C(=O)/N=C/N(C)C)C(=C1)C)F)C | 5 |
[Cl:1][C:2]1[C:3]([N+:13]([O-])=O)=[C:4]([OH:12])[C:5](=[CH:10][CH:11]=1)[C:6]([O:8][CH3:9])=[O:7].C(O)(=O)C>[Fe].CO>[NH2:13][C:3]1[C:2]([Cl:1])=[CH:11][CH:10]=[C:5]([C:6]([O:8][CH3:9])=[O:7])[C:4]=1[OH:12] | 1 |
[C:1](Cl)(=[O:5])[C:2](Cl)=O.CN([CH:10]=[O:11])C.[N:12]1C=C[CH:15]=[CH:14][CH:13]=1.CCOCC>C(#N)C>[C:13]([CH2:14][CH2:15][CH2:2][C:1]([O:11][CH3:10])=[O:5])#[N:12] | 1 |
[CH:1]1[C:13]2[CH:12]([CH2:14][O:15][C:16]([NH:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][C:24](O)=[O:25])=[O:17])[C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]=2[CH:4]=[CH:3][CH:2]=1.C(N(CC)C(C)C)(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[NH2:60][CH2:61][C:62]([NH:64][C:65]1[CH:79]=[CH:78][C:68]([... | 1 |
C(C=C)Br.OC=1C=C(C=C(C1)O)CC(=O)OC>>C(C=C)OC=1C=C(C=C(C1)OCC=C)CC(=O)OC | 5 |
ClCC(=O)Cl.OC1CCNCC1.C(C)(C)(C)OC(=O)N[C@H]1CNCC1>>C(C)(C)(C)OC(N[C@H]1CN(CC1)C(CN1CCC(CC1)O)=O)=O | 5 |
ClC(=O)OC(C)Cl.COC1=C(C=CC(=C1)OC)CN(S(=O)(=O)C1=C(C=C(C(=C1)F)OC1=CC(=CC(=C1)C(F)(F)F)C1CN(C1)C(C1=CC=CC=C1)C1=CC=CC=C1)F)C1=NC=NS1>CC#N.O.CO[H].ClCCl>N1CC(C1)C=1C=C(OC2=CC(=C(C=C2F)S(=O)(=O)NC2=NC=NS2)F)C=C(C1)C(F)(F)F | 3 |
[Br:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[C:7](=[O:11])[NH:6][CH2:5]2.[C:12]([O:16][C:17](=O)[O:18]C(C)(C)C)([CH3:15])([CH3:14])[CH3:13].CO>O1CCCC1>[Br:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[C:7](=[O:11])[N:6]([C:17]([O:16][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:18])[CH2:5]2 | 1 |
C1[S:5][C:4]([NH:6][C:7]([NH2:9])=[NH:8])=[N:3]C=1CSCCC(NS(N)(=O)=O)=N.NCCC1N=CNC=1.[H][H].C(CCSCC1N=C(NC(N)=N)SC=1)#N.NN=CNC(N)=S.[Cl:53][CH:54](Cl)[C:55](=[O:57])[CH3:56]>CC(C)=O>[ClH:53].[Cl:53][CH2:54][C:55]1([OH:57])[CH2:56][S:5][C:4]([NH:6][C:7]([NH2:9])=[NH:8])=[N:3]1 | 1 |
COCCl.FC1=NC=C(C=C1)O>N(C)(C)C=O.[H-].[Na+]>FC1=NC=C(C=C1)OCOC | 3 |
ClS(=O)(=O)N=C=O.BrC1=C(C=C2C=CNC2=C1)F>N(C)(C)C=O>BrC1=C(C=C2C(=CNC2=C1)C#N)F | 3 |
[Br:1][C:2]1[C:3]([SH:12])=[N:4][C:5]([C:8]([F:11])([F:10])[F:9])=[CH:6][CH:7]=1.Br[CH:14]1[CH2:19][CH2:18][O:17][CH2:16][CH2:15]1>>[Br:1][C:2]1[C:3]([S:12][CH:14]2[CH2:19][CH2:18][O:17][CH2:16][CH2:15]2)=[N:4][C:5]([C:8]([F:11])([F:10])[F:9])=[CH:6][CH:7]=1 | 2 |
C(C1=CC=CC=C1)OC(C(C=O)(C)C)=O>>C(C1=CC=CC=C1)OC(C(CN1CCCCC1)(C)C)=O | 5 |
ClC1=C(C=C(C=O)C=C1)C(=O)OC>O.C1CCCO1.Cl.CC(C)(C)O.Cl(=O)[O-].[Na+].CC(C)=CC.P(=O)(O)(O)[O-].[Na+]>ClC1=C(C(=O)O)C=CC=C1C(=O)OC.N(=C=S)C=1SC2=C(N1)C(=CC=C2)OC | 3 |
Br[CH2:2][CH:3]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[F:11])[F:4].CC(C)([O-])C.[K+]>CCCCC>[F:11][C:6]1[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=1[C:3]([F:4])=[CH2:2] | 2 |
COC1=CC=C(CN2N=CC(=C(C2=O)C(F)(F)F)N2[C@@H](CC2)COCC(=O)OC(C)(C)C)C=C1>ClCCl.C(=O)(C(F)(F)F)O>COC1=CC=C(CN2N=CC(=C(C2=O)C(F)(F)F)N2[C@@H](CC2)COCC(=O)O)C=C1 | 3 |
BrC=1C=CC(=NC1)F.Cl.CN1C(CNCC1)=O>N(C)(C)C=O.CCN(CC)CC>BrC=1C=CC(=NC1)N1CC(N(CC1)C)=O | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[C:9]([C:21](OCC)=[O:22])=[CH:10][N:11]([C:13]2[C:18]([CH3:19])=[CH:17][N:16]=[C:15]([F:20])[CH:14]=2)[CH:12]=1.[AlH4-].[Li+]>C1COCC1>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[C:9]([CH2:21][OH:22])=[CH:10][N:11]([C:13]2[C:18]([CH3:19])=[CH:17][N:16]=[C:15]([F... | 2 |
[C:1]1([CH3:13])[CH:6]=[CH:5][C:4]([CH2:7][C:8]([O:10][CH2:11][CH3:12])=[O:9])=[CH:3][CH:2]=1.C1C(=O)N([Br:21])C(=O)C1.CCOC(C)=O>C(Cl)(Cl)(Cl)Cl>[Br:21][CH2:13][C:1]1[CH:2]=[CH:3][C:4]([CH2:7][C:8]([O:10][CH2:11][CH3:12])=[O:9])=[CH:5][CH:6]=1 | 2 |
FC1=CC=C(C=C1)C(C(C)C)=O.BrC(C(=O)C1=CC=C(C=C1)F)(C)C>CO[H].C[O-].[Na+]>FC1=CC=C(C=C1)C1(OC1(C)C)OC | 3 |
[CH3:1][S:2](Cl)(=[O:4])=[O:3].[NH2:6][C:7]1[CH:8]=[C:9]([CH:15]=[CH:16][C:17]=1[N:18]1[CH2:23][CH2:22][CH2:21][CH2:20][CH:19]1[CH3:24])[C:10]([O:12]CC)=[O:11].[OH-].[Li+].O>C(Cl)Cl.C1COCC1>[CH3:24][CH:19]1[CH2:20][CH2:21][CH2:22][CH2:23][N:18]1[C:17]1[CH:16]=[CH:15][C:9]([C:10]([OH:12])=[O:11])=[CH:8][C:7]=1[NH:6][S:2... | 1 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[S:9][C:8]([S:10]([NH:13][C:14]3[CH:15]=[C:16]([CH:20]=[CH:21][CH:22]=3)[C:17]([OH:19])=[O:18])(=[O:12])=[O:11])=[C:7]([CH3:23])[C:6]=2[CH:24]=1.O[CH:26]1[CH2:30][CH2:29][O:28][CH2:27]1>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[S:9][C:8]([S:10]([NH:13][C:14]3[CH:15]=[C:16]([CH:20]=[CH:21][CH:22]=3... | 1 |
Cl.CNOC.[N+](=O)([O-])C=1C=C(C(=O)O)C=CC1[N+](=O)[O-]>N(C)(C)C=O.ClCCl.c1ccncc1.C(C(=O)Cl)(=O)Cl>CN(C(C1=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])=O)OC | 3 |
[CH3:1][N:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH:5]([C:12]2[CH:23]=[CH:22][C:15]([O:16][C:17]([CH3:21])([CH3:20])[CH2:18]Br)=[CH:14][CH:13]=2)[CH2:4][CH2:3]1.[C:24]([O-:27])(=[O:26])[CH3:25].[K+]>CN(C=O)C>[C:24]([O:27][CH2:18][C:17]([O:16][C:15]1[CH:22]=[CH:23][C:12]([CH:5]2[C:6]3[C:11](=[CH:10][CH:9]=[CH:8]... | 1 |
[CH3:1][N:2]([CH:10]1[CH2:15][CH2:14][CH:13]([N:16]2[C:25]3[C:20](=[CH:21][C:22]([NH:26][C:27]([C:29]4[S:30][CH:31]=[CH:32][CH:33]=4)=[NH:28])=[CH:23][CH:24]=3)[CH2:19][CH2:18][CH2:17]2)[CH2:12][CH2:11]1)C(=O)OC(C)(C)C.N1CCC(N2CCCCC3C=C(NC(C4SC=CC=4)=N)C=CC2=3)C1>CO.Cl>[CH3:1][NH:2][CH:10]1[CH2:11][CH2:12][CH:13]([N:16... | 1 |
C1(O)=CC(O)=CC=C1.OC1=CC=C(C=C1)CC(=O)O>>OC1=C(C=CC(=C1)O)C(CC1=CC=C(C=C1)O)=O | 5 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:7]=[C:8]([O:10][CH3:11])[CH:9]=1)[NH2:6].Br[CH:13]([CH:17]([CH3:19])[CH3:18])[C:14]([OH:16])=[O:15].[I-].[K+]>CN(P(N(C)C)(N(C)C)=O)C>[CH3:11][O:10][C:8]1[CH:7]=[C:5]([NH:6][C@H:13]([C:14]([OH:16])=[O:15])[CH:17]([CH3:19])[CH3:18])[CH:4]=[C:3]([O:2][CH3:1])[CH:9]=1 | 1 |
FC1=C(C(=C(C=C1F)F)F)O.[Br-].C1=CC=CC=2[SH+]C3=C(C21)C=CC=C3>>FC1=C(C(=C(C=C1F)F)F)[O-].C1(=CC=CC=C1)[S+]1C2=C(C3=C1C=CC=C3)C=CC=C2 | 5 |
[CH2:1]([O:8][C:9]([N:11]1[CH2:16][CH2:15][CH:14]([C:17](=[O:34])[C:18]2[CH:23]=[CH:22][C:21]([C@@H:24]([NH:26][C:27]([O:29][C:30]([CH3:33])([CH3:32])[CH3:31])=[O:28])[CH3:25])=[CH:20][CH:19]=2)[CH2:13][CH2:12]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:35][Mg]Cl.[Cl-].[NH4+]>O1CCCC1>[CH2:1]([O:8][C:9]([N:1... | 1 |
[CH3:1][N:2]1[CH:6]([C:7]([O:9]C)=[O:8])[CH2:5][NH:4][C:3]1=[O:11].[OH-].[Li+].Cl>O1CCCC1.O>[CH3:1][N:2]1[CH:6]([C:7]([OH:9])=[O:8])[CH2:5][NH:4][C:3]1=[O:11] | 1 |
F[P-](F)(F)(F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2N=CC=CC=2N=N1.[Cl:25][C:26]1[C:27]([C:32]([OH:34])=O)=[N:28][CH:29]=[CH:30][CH:31]=1.C(N(C(C)C)CC)(C)C.[NH2:44][C:45]1[N:49]([C:50]2[CH:55]=[CH:54][C:53]([F:56])=[CH:52][CH:51]=2)[N:48]=[CH:47][C:46]=1[C:57]([NH:59][CH2:60][C:61]([CH2:67][NH:68][CH2:69][CH3:70])([OH:66])[C:62]... | 2 |
N[C@@H]1CC[C@@H](N(C1)CC1=CC=CC=C1)CC(=O)OCC>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>N[C@@H]1CC[C@@H](N(C1)CC1=CC=CC=C1)CCO | 3 |
OC1=CC=C(C=C1)\C=C\C(CC(\C=C\C1=C(C=CC=C1)[N+](=O)[O-])=O)=O.OC=1C=CC(=C(C1)\C=C\C(CC(\C=C\C1=CC=C(C=C1)O)=O)=O)[N+](=O)[O-]>>NC1=C(C=C(C=C1)O)\C=C\C(CC(\C=C\C1=CC=C(C=C1)O)=O)=O | 3 |
BrC(F)(F)Br.FC=1C(=NC=C(C1)O)C(=O)OC>O.[H-].[Na+]>BrC(OC=1C=C(C(=NC1)C(=O)OC)F)(F)F | 3 |
C1(=CC=CC=C1)C=O>CO[H].C(C)(=O)O.C(#N)[BH3-].[Na+]>C(C1=CC=CC=C1)N[C@@H](CC1=CC=CC=C1)CO | 3 |
NO.ClC1=C(C=CC(=C1)OC1=C(C=CC=C1)Cl)C(C)=O>CCO[H]>ClC1=C(C=CC(=C1)OC1=C(C=CC=C1)Cl)C(C)=NO | 3 |
ClC1=NC=NC2=CC(=C(C=C12)OC)OCCCN1CCOCC1.ClC1=C(C2=C(OCO2)C(=C1)C#CCOCC)N>>ClC1=C(C2=C(OCO2)C(=C1)C#CCOCC)NC1=NC=NC2=CC(=C(C=C12)OC)OCCCN1CCOCC1 | 5 |
[CH3:1][C:2]1([C:7]2[O:11][C:10]([CH2:12][N:13]3[CH:17]=[CH:16][C:15]([NH2:18])=[N:14]3)=[CH:9][CH:8]=2)[O:6]CCO1.[Cl:19][C:20]1[CH:25]=[C:24]([Cl: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]=[CH:16][C:15]([NH:18][C:29](=[O:30])/[CH:28]=[CH:27]/[C:21]3[CH... | 1 |
ClC1C(CO)=CC(F)=C(C=1)C(OC)=O.[CH:15]1([C:18]2[C:19]([CH2:32][OH:33])=[CH:20][C:21]([F:31])=[C:22]([CH:30]=2)[C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[CH2:17][CH2:16]1.ClC1C=C(O)C=NC=1OCC(F)(F)C(F)F.[Cl:50][C:51]1[CH:52]=[C:53](O)[CH:54]=[C:55]([O:57][C:58]([F:61])([F:60])[F:59])[CH:56]=1>>[Cl:50][C:51]1... | 2 |
FC=1C=2N(C=C(C1)C=1C=C3C(NC(=NC3=CC1)NC1CCN(CC1)C(=O)OC(C)(C)C)=O)C=C(N2)C>O.Cl.O1CCOCC1>FC=1C=2N(C=C(C1)C=1C=C3C(NC(=NC3=CC1)NC1CCNCC1)=O)C=C(N2)C | 3 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.