smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[C:1]([O:4][C@@H:5]1[C@@H:19]([O:20][C:21](=[O:23])[CH3:22])[C@H:18]([O:24][C:25](=[O:27])[CH3:26])[CH2:17][S:16][C@H:6]1[O:7][C:8]1[C:9]([F:15])=[N:10][C:11](I)=[CH:12][CH:13]=1)(=[O:3])[CH3:2].[CH3:28][C:29]1[C:33](B(O)O)=[C:32]([CH3:37])[O:31][N:30]=1>>[C:1]([O:4][C@@H:5]1[C@@H:19]([O:20][C:21](=[O:23])[CH3:22])[C@H:18]([O:24][C:25](=[O:27])[CH3:26])[CH2:17][S:16][C@H:6]1[O:7][C:8]1[C:9]([F:15])=[N:10][C:11]([C:33]2[C:29]([CH3:28])=[N:30][O:31][C:32]=2[CH3:37])=[CH:12][CH:13]=1)(=[O:3])[CH3:2] | 1 |
COC(=C(C)C)O[Si](C)(C)C.CN1N=NC2=C1C=CC(=C2C)C(O)C2=CC(=C(C=C2)C)COCC2=CC=C(C=C2)OC>ClCCl.C(O)([O-])=O.[Na+].[Ti](Cl)(Cl)(Cl)Cl>CN1N=NC2=C1C=CC(=C2C)C(C(C(=O)OC)(C)C)C2=CC(=C(C=C2)C)CO | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.[N+](=O)([O-])C1=CC=C2C[C@H](NC2=C1)C(=O)OC.Cl.N1[C@@H](CC2=CC=CC=C12)C(=O)OC>C1CCCO1.C1(=CC=NC=C1)N(C)C>[N+](=O)([O-])C1=CC=C2C[C@H](N(C2=C1)C(=O)OC(C)(C)C)C(=O)OC | 3 |
ClC1=C(C=CC=2N(N=NC21)CC2CC2)C2=CC=C(C=C2)CO>>ClC1=C(C=CC=2N(N=NC21)CC2CC2)C2=CC=C(C=O)C=C2 | 5 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]2[CH2:11][CH2:10][NH:9]2)=[CH:4][CH:3]=1.C(N(CC)CC)C.[CH3:19][S:20](Cl)(=[O:22])=[O:21].C(OCC)(=O)C>ClCCl>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([CH:8]2[CH2:11][CH2:10][N:9]2[S:20]([CH3:19])(=[O:22])=[O:21])=[CH:6][CH:7]=1 | 1 |
Cl.CON.C(C)(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(C)=O)OC(C)=O)C1=CC(=C(C=C1)C#N)CC1=CC=C(C=C1)OCC=O)COC(C)=O>c1ccncc1.CCO[H]>C(C)(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(C)=O)OC(C)=O)C1=CC(=C(C=C1)C#N)CC1=CC=C(C=C1)OCC=NOC)COC(C)=O | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:9](=[C:10]([NH:12][S:13]([C:16]3[S:17][CH:18]=[CH:19][CH:20]=3)(=[O:15])=[O:14])[CH:11]=1)[NH:8][C:7]([C:21]([O:23]CC)=[O:22])=[CH:6]2.CO.[OH-].[K+].C(O)(=O)CC(CC(O)=O)(C(O)=O)O>O1CCCC1>[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:9](=[C:10]([NH:12][S:13]([C:16]3[S:17][CH:18]=[CH:19][CH:20]=3)(=[O:15])=[O:14])[CH:11]=1)[NH:8][C:7]([C:21]([OH:23])=[O:22])=[CH:6]2 | 1 |
Br[C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]([Cl:12])[C:6]([CH2:13][OH:14])=[CH:5]2.[C:15]1([CH3:24])[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=1B(O)O.C([O-])(=O)C.[K+]>CC#N.O>[Cl:12][C:7]1[C:6]([CH2:13][OH:14])=[CH:5][C:4]2[C:9](=[CH:10][CH:11]=[C:2]([C:16]3[CH:17]=[CH:18][CH:19]=[CH:20][C:15]=3[CH3:24])[CH:3]=2)[N:8]=1 | 1 |
ClC(Cl)(Cl)[C:3]([C:5]1[N:14]2[C:8]([CH2:9][N:10]([C:19](=[O:29])[CH2:20][S:21][C:22]3[CH:27]=[CH:26][C:25]([Br:28])=[CH:24][CH:23]=3)[C:11]3[CH:18]=[CH:17][CH:16]=[CH:15][C:12]=3[CH2:13]2)=[CH:7][CH:6]=1)=[O:4].[Cl:32][C:33]1[CH:34]=[C:35]([CH:38]=[CH:39][C:40]=1[Cl:41])[CH2:36][NH2:37].CS(C)=O>C(#N)C>[Br:28][C:25]1[CH:26]=[CH:27][C:22]([S:21][CH2:20][C:19]([N:10]2[C:11]3[CH:18]=[CH:17][CH:16]=[CH:15][C:12]=3[CH2:13][N:14]3[C:5]([C:3]([NH:37][CH2:36][C:35]4[CH:38]=[CH:39][C:40]([Cl:41])=[C:33]([Cl:32])[CH:34]=4)=[O:4])=[CH:6][CH:7]=[C:8]3[CH2:9]2)=[O:29])=[CH:23][CH:24]=1 | 1 |
[N:1]([O-:3])=O.[Na+].N[C:6]1[CH:7]=[C:8]([CH3:13])[C:9]([CH3:12])=N[CH:11]=1.[F:14][P-](F)(F)(F)(F)F.[H+]>Cl.O>[CH3:12][C:9]1[C:8]([CH3:13])=[CH:7][C:6]([F:14])=[CH:11][N+:1]=1[O-:3] | 1 |
BrC1=CC=C(C=C1)N=C=S.NC1=C(C(=CC=C1)C(C)C)O>C1CCCO1.CCN(CC)CC.[O-]S(=O)(=O)[O-].[Cu+2]>BrC1=CC=C(C=C1)NC=1OC2=C(N1)C=CC=C2C(C)C | 3 |
FC=1C=C(C=NC1)B(O)O.BrC=1C=C2C(=NC1)OC1=CC=C(C=C1[C@]21N=C(SC1)N)I>O.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>BrC=1C=C2C(=NC1)OC1=CC=C(C=C1[C@]21N=C(SC1)N)C=1C=NC=C(C1)F | 3 |
ICCC.ClC1=CC(=C2C(=N1)C=CN2)C>N(C)(C)C=O.[H-].[Na+]>ClC1=CC(=C2C(=N1)C=CN2CCC)C | 3 |
N1CC(C1)N1N=CC(=C1)NC1=NC=CC(=N1)C1=CC(=C(CNC(=O)C2=CN=C(S2)C(C)(C)C)C=C1)C>CO[H].C=O.C(#N)[BH3-].[Na+]>C(C)(C)(C)C=1SC(=CN1)C(=O)NCC1=C(C=C(C=C1)C1=NC(=NC=C1)NC=1C=NN(C1)C1CN(C1)C)C | 3 |
OC1=C2C=CN=CC2=C(C=C1)NC(C=C)=O.FC1(CCC(CC1)CI)F>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>FC1(CCC(CC1)COC1=C2C=CN=CC2=C(C=C1)NC(C=C)=O)F | 3 |
CC=1CCC(N1)C(=O)OC>CCO[H].[HH].[Pd]>CC1CCC(N1)C(=O)OC | 3 |
CC1=CC=CC(=N1)C#N.C(C=1C(S)=CC=CC1)(=O)OC>C1(=CC=CC=C1)C.CCN(CC)CC>CC1=CC=CC(=N1)C=1SC2=C(C(N1)=O)C=CC=C2 | 3 |
CS(=O)(=O)C=1C=C(C=CC1)B(O)O.NC=1N(C(C2(N1)CC(OC1=CC=C(C=C12)Br)C1=CC=CC=C1)=O)C>>NC=1N(C(C2(N1)CC(OC1=CC=C(C=C12)C1=CC(=CC=C1)S(=O)(=O)C)C1=CC=CC=C1)=O)C | 5 |
[CH:1]1([C:4]2[CH:8]=[CH:7][N:6]([CH2:9][C:10]([O:12]CC)=[O:11])[N:5]=2)[CH2:3][CH2:2]1.CCOC(C)=O>O>[CH:1]1([C:4]2[CH:8]=[CH:7][N:6]([CH2:9][C:10]([OH:12])=[O:11])[N:5]=2)[CH2:2][CH2:3]1 | 2 |
CS(=O)(=O)N.BrC=1C=C(C=O)C=C(C1)F>CCN(CC)CC.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>BrC=1C=C(CNS(=O)(=O)C)C=C(C1)F | 3 |
[OH:1][C@@H:2]([CH2:15][NH:16][C:17]1[CH:22]=[CH:21][C:20]([N:23]2[CH2:28][CH2:27][O:26][CH2:25][C:24]2=[O:29])=[CH:19][CH:18]=1)[CH2:3][N:4]1[C:12](=[O:13])[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:5]1=[O:14].[C:30](N1C=CN=C1)(N1C=CN=C1)=[O:31]>O1CCCC1>[O:31]=[C:30]1[N:16]([C:17]2[CH:22]=[CH:21][C:20]([N:23]3[CH2:28][CH2:27][O:26][CH2:25][C:24]3=[O:29])=[CH:19][CH:18]=2)[CH2:15][C@H:2]([CH2:3][N:4]2[C:12](=[O:13])[C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]2=[O:14])[O:1]1 | 2 |
[OH:1][C@H:2]([CH2:24][N:25]([CH2:37][CH:38]([CH3:40])[CH3:39])[S:26]([C:29]1[CH:34]=[CH:33][C:32]([O:35][CH3:36])=[CH:31][CH:30]=1)(=[O:28])=[O:27])[C@@H:3]([NH:11][C:12](=[O:23])[O:13][C@H:14]1[CH2:22][C@H:17]2[O:18][CH2:19][C:20](=[O:21])[C@H:16]2[CH2:15]1)[CH2:4][C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1.[BH4-].[Na+].[NH4+].[Cl-]>CCO>[OH:1][C@H:2]([CH2:24][N:25]([CH2:37][CH:38]([CH3:40])[CH3:39])[S:26]([C:29]1[CH:30]=[CH:31][C:32]([O:35][CH3:36])=[CH:33][CH:34]=1)(=[O:28])=[O:27])[C@@H:3]([NH:11][C:12](=[O:23])[O:13][C@H:14]1[CH2:22][C@H:17]2[O:18][CH2:19][C@@H:20]([OH:21])[C@H:16]2[CH2:15]1)[CH2:4][C:5]1[CH:6]=[CH:7][CH:8]=[CH:9][CH:10]=1 | 1 |
[Si](C)(C)(C(C)(C)C)O[C@H]1C[C@@H](C[C@H]1CO[Si](C)(C)C(C)(C)C)N.ClC1=C2N=C(NC2=NC=N1)C1=CC(=CC=C1)Cl>CCO[H].C(C)(C)N(C(C)C)CC>[Si](C)(C)(C(C)(C)C)O[C@H]1C[C@@H](C[C@H]1CO[Si](C)(C)C(C)(C)C)NC1=C2N=C(NC2=NC=N1)C1=CC(=CC=C1)Cl | 3 |
ClC1=CC=C(CN)C=C1.C(C)OC(=O)C=1NC2=CC(=CC=C2C1C=O)Cl.C1(=CC=C(C=C1)S(=O)(=O)C(C1=CC=CC=C1)[N+]#[C-])C>>ClC1=CC=C2C(=C(NC2=C1)C(=O)OCC)C1=C(N=CN1CC1=CC=C(C=C1)Cl)C1=CC=CC=C1 | 5 |
[NH2:1][C@H:2]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)[CH2:3][OH:4].[Si:11]([O:18][C@H:19]([CH2:23][CH:24]=[CH2:25])[C:20](O)=[O:21])([C:14]([CH3:17])([CH3:16])[CH3:15])([CH3:13])[CH3:12]>C(Cl)Cl>[Si:11]([O:18][C@H:19]([CH2:23][CH:24]=[CH2:25])[C:20]([NH:1][C@H:2]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)[CH2:3][OH:4])=[O:21])([C:14]([CH3:17])([CH3:16])[CH3:15])([CH3:12])[CH3:13] | 2 |
[C:1]([O:5][C:6]([NH:8][C@H:9]([C:17]([O:19]C1C(F)=C(F)C(F)=C(F)C=1F)=O)[CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[NH2:31][CH2:32][C:33]([O:35][CH2:36][CH3:37])=[O:34].C(N(CC)CC)C>O1CCOCC1.C(OCC)(=O)C>[C:6]([NH:8][C@H:9]([C:17]([NH:31][CH2:32][C:33]([O:35][CH2:36][CH3:37])=[O:34])=[O:19])[CH2:10][C:11]1[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=1)([O:5][C:1]([CH3:2])([CH3:3])[CH3:4])=[O:7] | 1 |
I.[Cl:2][C:3]1[N:4]=[CH:5][N:6]([C:8]2[CH:13]=[CH:12][C:11]([NH:14][C:15](SC)=[NH:16])=[CH:10][C:9]=2[O:19][CH3:20])[CH:7]=1.[Cl:21][CH2:22][CH2:23][CH2:24][CH2:25][CH:26]([C:30]1[CH:35]=[CH:34][C:33]([Cl:36])=[CH:32][CH:31]=1)[C:27](O)=O.[NH2:37][NH2:38]>>[Cl:21][CH2:22][CH2:23][CH2:24][CH2:25][CH:26]([C:27]1[NH:38][N:37]=[C:15]([NH:14][C:11]2[CH:12]=[CH:13][C:8]([N:6]3[CH:7]=[C:3]([Cl:2])[N:4]=[CH:5]3)=[C:9]([O:19][CH3:20])[CH:10]=2)[N:16]=1)[C:30]1[CH:35]=[CH:34][C:33]([Cl:36])=[CH:32][CH:31]=1 | 1 |
C1(CCN2C3=C(C=CC=C13)C=CC2=O)=O>CS(=O)C.[H-].[Na+].[I-].C[S+](=O)(C)C>C12(CCN3C4=C(C=CC=C14)C=CC3=O)OC2 | 3 |
C(C)(C)(C)OC(=O)N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C.BrC=1C=C(C2=C(N1)N(N=C2)C(C)C)C(=O)NCC=2C(NC(=CC2C)C)=O>O.C(C)(=O)OCC.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>CC1=C(C(NC(=C1)C)=O)CNC(=O)C1=C2C(=NC(=C1)C1=CCN(CC1)C(=O)OC(C)(C)C)N(N=C2)C(C)C | 3 |
Cl.Cl.[F:3][C:4]([F:41])([F:40])[C:5]1[CH:6]=[C:7]([N:15]([CH3:39])[C:16]([N:18]([C@@H:20]2[CH2:25][CH2:24][N:23]([CH:26]3[CH2:31][CH2:30][NH:29][CH2:28][CH2:27]3)[CH2:22][C@H:21]2[C:32]2[CH:37]=[CH:36][C:35]([F:38])=[CH:34][CH:33]=2)[CH3:19])=[O:17])[CH:8]=[C:9]([C:11]([F:14])([F:13])[F:12])[CH:10]=1.C(N(CC)CC)C.[C:49]([Cl:52])(=[O:51])[CH3:50]>C(#N)C.C(OCC)(=O)C>[ClH:52].[C:49]([N:29]1[CH2:30][CH2:31][CH:26]([N:23]2[CH2:24][CH2:25][C@@H:20]([N:18]([CH3:19])[C:16]([N:15]([C:7]3[CH:8]=[C:9]([C:11]([F:12])([F:13])[F:14])[CH:10]=[C:5]([C:4]([F:3])([F:40])[F:41])[CH:6]=3)[CH3:39])=[O:17])[C@H:21]([C:32]3[CH:37]=[CH:36][C:35]([F:38])=[CH:34][CH:33]=3)[CH2:22]2)[CH2:27][CH2:28]1)(=[O:51])[CH3:50] | 1 |
[C:1]([C:3]1[C:7]2[CH:8]=[CH:9][CH:10]=[CH:11][C:6]=2[O:5][CH:4]=1)#N.OS(O)(=O)=O.[OH2:17].[OH2:18]>C(O)(=O)C>[O:5]1[C:6]2[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=2[C:3]([C:1]([OH:18])=[O:17])=[CH:4]1 | 1 |
F[C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[CH:4][CH:3]=1.C(N(CC)CC)C.[C:16]1([CH3:26])[CH:21]=[CH:20][C:19]([S:22](Cl)(=[O:24])=[O:23])=[CH:18][CH:17]=1.[CH:27]12[CH:32]([NH:33][C:34](=[O:40])[O:35][C:36]([CH3:39])([CH3:38])[CH3:37])[CH:31]1[CH2:30][NH:29][CH2:28]2.C(=O)([O-])[O-].[K+].[K+]>C(Cl)Cl.CN(C=O)C>[CH3:26][C:16]1[CH:21]=[CH:20][C:19]([S:22]([NH:6][C:5]2[CH:7]=[CH:8][C:2]([N:29]3[CH2:28][CH:27]4[CH:31]([CH:32]4[NH:33][C:34](=[O:40])[O:35][C:36]([CH3:37])([CH3:39])[CH3:38])[CH2:30]3)=[CH:3][CH:4]=2)(=[O:24])=[O:23])=[CH:18][CH:17]=1 | 2 |
[Br:1][C:2]1[C:3](Cl)=[N:4][CH:5]=[C:6]([N+:8]([O-:10])=[O:9])[CH:7]=1.[F:12][C:13]1[CH:19]=[CH:18][C:16]([NH2:17])=[CH:15][CH:14]=1>CS(C)=O>[Br:1][C:2]1[C:3]([NH:17][C:16]2[CH:18]=[CH:19][C:13]([F:12])=[CH:14][CH:15]=2)=[N:4][CH:5]=[C:6]([N+:8]([O-:10])=[O:9])[CH:7]=1 | 1 |
Br.BrCC=1C=NC=CC1.BrC=1C=C(C=2N(C1)N=CC2)O>>CN1N=CC(=C1)C=1C=C(C=2N(C1)N=CC2)OCC=2C=NC=CC2 | 5 |
CSC1=NC=C(C=N1)C=O.C1(=CC=CC=C1)S(=O)(=O)N1C=C(C=2C1=NC=C(C2)Cl)I>C1CCCO1.[Cl-].[NH4+].C(C)(C)[Mg]Cl>C1(=CC=CC=C1)S(=O)(=O)N1C=C(C=2C1=NC=C(C2)Cl)C(O)C=2C=NC(=NC2)SC | 3 |
NC1=C(C=NN1C1=CC=CC=C1)C(=O)O\N=C(/N)\C1=CC=C(CN2CC(C2)C(=O)OC)C=C1>O.CCO[H].C(C)(=O)[O-].[Na+]>NC1=C(C=NN1C1=CC=CC=C1)C1=NC(=NO1)C1=CC=C(CN2CC(C2)C(=O)OC)C=C1 | 3 |
C(N1C=CN=C1)(N1C=CN=C1)=O.[Br:13][C:14]1[NH:15][C:16]2[C:21]([C:22]=1[CH:23]1[CH2:28][CH2:27][CH2:26][CH2:25][CH2:24]1)=[CH:20][CH:19]=[C:18]([C:29]([OH:31])=O)[CH:17]=2.C(=O)=O.[CH3:35][N:36]([CH3:41])[S:37]([NH2:40])(=[O:39])=[O:38].C1CCN2C(=NCCC2)CC1>C1COCC1>[Br:13][C:14]1[NH:15][C:16]2[C:21]([C:22]=1[CH:23]1[CH2:28][CH2:27][CH2:26][CH2:25][CH2:24]1)=[CH:20][CH:19]=[C:18]([C:29]([NH:40][S:37]([N:36]([CH3:41])[CH3:35])(=[O:39])=[O:38])=[O:31])[CH:17]=2 | 1 |
[C@@H]1([C@H](O)[C@H](O)[C@@H](CO)O1)N1C=NC=2C(N)=NN=NC12>BrBr.C(C)(=O)[O-].[Na+]>NC=1C2=C(N=NN1)N(C(=N2)Br)[C@H]2[C@H](O)[C@H](O)[C@H](O2)CO | 3 |
C(C)NCC1=C(C=CC(=C1)C(F)(F)F)C1=CC(=CC=C1)CC(=O)O>S(O)(O)(=O)=O.CCO[H]>C(C)OC(CC=1C=C(C=CC1)C1=C(C=C(C=C1)C(F)(F)F)CNCC)=O | 3 |
C(C)(C)(C)OC(=O)NCC(=O)O.S1C=C(C=2C1=NC=CC2)N>ClCCl.C1(CCCCC1)N=C=NC1CCCCC1>C(C)(C)(C)OC(NCC(=O)NC1=CSC2=NC=CC=C21)=O | 3 |
Br[C:2]1[N:3]=[C:4]2[C:10]([CH:11]=[O:12])=[CH:9][N:8]([CH2:13][O:14][CH2:15][CH2:16][Si:17]([CH3:20])([CH3:19])[CH3:18])[C:5]2=[N:6][CH:7]=1.[F:21][CH:22]([F:47])[O:23][C:24]1[CH:25]=[C:26]2[C:30](=[CH:31][CH:32]=1)[N:29]([CH3:33])[N:28]=[C:27]2[Sn](CCCC)(CCCC)CCCC>CN(C=O)C.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.[Cu]I>[F:47][CH:22]([F:21])[O:23][C:24]1[CH:25]=[C:26]2[C:30](=[CH:31][CH:32]=1)[N:29]([CH3:33])[N:28]=[C:27]2[C:2]1[N:3]=[C:4]2[C:10]([CH:11]=[O:12])=[CH:9][N:8]([CH2:13][O:14][CH2:15][CH2:16][Si:17]([CH3:20])([CH3:19])[CH3:18])[C:5]2=[N:6][CH:7]=1 | 1 |
Br[C:2]1[C:10]2[O:9][CH:8]=[CH:7][C:6]=2[CH:5]=[C:4]([F:11])[CH:3]=1.[CH2:12]([N:19]1[CH2:23][CH:22]=[CH:21][CH2:20]1)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.C(N(CC)C(C)C)(C)C.[Li+].[Cl-].O1C=CC=C1P(C1OC=CC=1)C1OC=CC=1>CN(C)C=O.C(OCC)C.C([O-])(=O)C.C([O-])(=O)C.[Pd+2]>[CH2:12]([N:19]1[CH2:23][CH2:22][CH:21]([C:2]2[C:10]3[O:9][CH:8]=[CH:7][C:6]=3[CH:5]=[C:4]([F:11])[CH:3]=2)[CH2:20]1)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1 | 1 |
C(OC(=O)C[C:8]1[C:9]([Cl:17])=[N:10][C:11]([NH2:16])=[N:12][C:13]=1[C:14]#N)(C)(C)C.[I-].[Na+].Cl[Si](C)(C)C.[C:26](#[N:28])C>>[NH2:16][C:11]1[N:10]=[C:9]([Cl:17])[CH:8]=[C:13]([CH2:14][C:26]#[N:28])[N:12]=1 | 1 |
C(C)(=O)C1=C2C=CC(NC2=CC(=C1)OCC1=CC=CC=C1)=O>O.C(C)(=O)O.ClCCCl.Cl[I-]Cl.C[N+](C)(C)Cc1ccccc1>C(C1=CC=CC=C1)OC1=CC(=C2C=CC(NC2=C1)=O)C(CCl)=O | 3 |
ClC1=NC(=CC(=C1)C(=O)OCC)C>>ClC1=NC(=CC(=C1)CO)C | 5 |
C1(=CC=C(C=C1)S(=O)(=O)Cl)C.C1(=CC=CC=C1)NC1=CC=CC=C1>>CC1=CC=C(C=C1)S(=O)(=O)N(C1=CC=CC=C1)C1=CC=CC=C1 | 3 |
C(CC#C)O.C(C1=CC=CC=C1)C1=C(SC=2N3C([C@@H](OCC21)C)=NN=C3C)Br>[Cu]I.C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.CCN(CC)CC.Cl[Pd]Cl>C(C1=CC=CC=C1)C1=C(SC=2N3C([C@@H](OCC21)C)=NN=C3C)C#CCCO | 3 |
COC=1C(C(C1OC)=O)=O.Cl.NC=1C(=NC=NC1)O>CO[H].CCN(CC)CC>OC1=NC=NC=C1NC=1C(C(C1OC)=O)=O | 3 |
[Br:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[CH:4]=[C:5]([C:11]([OH:13])=O)[NH:6]2.Cl.Cl.Cl.[N:17]1([CH2:24][CH2:25][N:26]2[CH2:31][CH2:30][CH:29]([NH2:32])[CH2:28][CH2:27]2)[CH2:23][CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]1.CCN(C(C)C)C(C)C.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F>CN(C=O)C>[N:17]1([CH2:24][CH2:25][N:26]2[CH2:27][CH2:28][CH:29]([NH:32][C:11]([C:5]3[NH:6][C:7]4[C:3]([CH:4]=3)=[C:2]([Br:1])[CH:10]=[CH:9][CH:8]=4)=[O:13])[CH2:30][CH2:31]2)[CH2:23][CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]1 | 1 |
[NH2:1][C:2]1[CH:6]=[C:5]([Br:7])[S:4][C:3]=1[C:8]([NH2:10])=[O:9].O.[C:12]1([CH3:22])[CH:17]=[CH:16][C:15](S(O)(=O)=O)=CC=1.C([O-])(O)=O.[Na+]>C1(=O)CCCC1.C(O)(=O)C>[Br:7][C:5]1[S:4][C:3]2[C:8](=[O:9])[NH:10][C:15]3([CH2:16][CH2:17][CH2:12][CH2:22]3)[NH:1][C:2]=2[CH:6]=1 | 1 |
[CH:1]1([CH2:7][N:8]2[C:13](=[O:14])[CH:12]3[CH2:15][C:10]([C:16]4[CH:21]=[CH:20][C:19]([N+:22]([O-])=O)=[CH:18][CH:17]=4)([CH2:11]3)[C:9]2=[O:25])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.CCOCC>COCCO.[Pd]>[NH2:22][C:19]1[CH:18]=[CH:17][C:16]([C:10]23[CH2:11][CH:12]([CH2:15]2)[C:13](=[O:14])[N:8]([CH2:7][CH:1]2[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]2)[C:9]3=[O:25])=[CH:21][CH:20]=1 | 1 |
Cl.CN.ClC1=CC(=C(N=N1)C(=O)OC)NCC1CN(CCO1)C(=O)OC(C)(C)C>CO[H].C([O-])([O-])=O.[K+].[K+]>ClC1=CC(=C(N=N1)C(NC)=O)NCC1CN(CCO1)C(=O)OC(C)(C)C | 3 |
NC1CC(CCC1)O.NC1=NC2=C(C=3N1N=C(N3)C=3OC=CC3)C=NN2C(C(=O)O)(C)C2=CC=CC=C2>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>NC1=NC2=C(C=3N1N=C(N3)C=3OC=CC3)C=NN2C(C(=O)NC2CC(CCC2)O)(C)C2=CC=CC=C2 | 3 |
ClC=1C=C(C=C(C1)Cl)I.C(C)OC(=O)C1CCCCC1.F[C@H]1CN(CC1)C(=O)NC=1SC(=CN1)CO>[Cu]I.N.CS(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC=1C=C(C=C(C1)Cl)N1/C(/SC(=C1)CO)=N/C(=O)N1C[C@@H](CC1)F | 3 |
FC(C=1C=C(C=C(C1)C(F)(F)F)C(C(=O)N(C)C=1C=NC(=CC1C1=C(C=C(C=C1)F)C)N1C[C@H]2COCCN2C[C@H]1CO[Si](C)(C)C(C)(C)C)(C)C)(F)F>CO[H].Cl>FC(C=1C=C(C=C(C1)C(F)(F)F)C(C(=O)N(C)C=1C=NC(=CC1C1=C(C=C(C=C1)F)C)N1C[C@H]2COCCN2C[C@H]1CO)(C)C)(F)F | 3 |
C(C1=CC=CC=C1)Br.COC(C1=CC(=CC(=C1)NC(C)C)Cl)=O>CC#N.[I-].[K+].C(=O)([O-])[O-].[Cs+].[Cs+]>COC(C1=CC(=CC(=C1)Cl)N(C(C)C)CC1=CC=CC=C1)=O | 3 |
C([N:8]1[CH2:20][CH2:19][C:11]2([O:16][C@H:15]([CH3:17])[CH2:14][C@@H:13]([CH3:18])[O:12]2)[C@H:10]([CH3:21])[CH2:9]1)C1C=CC=CC=1.[H][H]>CO.[OH-].[Pd+2].[OH-]>[CH3:17][C@@H:15]1[CH2:14][C@@H:13]([CH3:18])[O:12][C:11]2([CH2:19][CH2:20][NH:8][CH2:9][C@H:10]2[CH3:21])[O:16]1 | 1 |
O1C(CCCC1)N1C=NC2=C1C=CC(=C2)C(=O)OC>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>O1C(CCCC1)N1C=NC2=C1C=CC(=C2)CO | 3 |
CI.C(C)(C)(C)OC(=O)N1CC(N(CC1)S(=O)(=O)C)C(=O)O>>COC(=O)C1CN(CCN1S(=O)(=O)C)C(=O)OC(C)(C)C | 5 |
[CH2:1]([NH:8][C:9]([C:11]1[S:12][C:13](Br)=[CH:14][C:15]=1[CH3:16])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:18]([O:25][C:26]1[CH:31]=[CH:30][NH:29][C:28](=[O:32])[CH:27]=1)[C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1>>[CH2:1]([NH:8][C:9]([C:11]1[S:12][C:13]([N:29]2[CH:30]=[CH:31][C:26]([O:25][CH2:18][C:19]3[CH:20]=[CH:21][CH:22]=[CH:23][CH:24]=3)=[CH:27][C:28]2=[O:32])=[CH:14][C:15]=1[CH3:16])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[Br:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[CH:4][C:3]=1[F:9].C([O-])([O-])=O.[K+].[K+].[CH2:16](Br)[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1>CC#N>[CH2:16]([N:6]([CH2:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)[C:5]1[CH:7]=[CH:8][C:2]([Br:1])=[C:3]([F:9])[CH:4]=1)[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1 | 1 |
OC1=CC(=CC=C1)O.BrC12CC3CC(CC(C1)C3)C2>>C12(CC3CC(CC(C1)C3)C2)C2=C(C=C(O)C(=C2)C23CC1CC(CC(C2)C1)C3)O | 5 |
CN1N=CC(=C1)B(O)O.FC1=CC=C(C=C1)C(N1C[C@@H](N(C[C@H]1CC)C1=NC=2N(C3=C1N=CC(=C3)Br)C=NN2)CC)C2=CC=C(C=C2)F>O.O1CCOCC1.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]>FC1=CC=C(C=C1)C(N1C[C@@H](N(C[C@H]1CC)C1=NC=2N(C3=C1N=CC(=C3)C=3C=NN(C3)C)C=NN2)CC)C2=CC=C(C=C2)F | 3 |
CN(C(=O)C1=CC2=C(N=C(N=C2)Cl)N1C1CCCC1)C.C(C)(C)(C)[Si](OC1CCN(CC1)C=1C=NC(=CC1)N)(C)C>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>CN(C(=O)C1=CC2=C(N=C(N=C2)NC2=CC=C(C=N2)N2CCC(CC2)N(C)C)N1C1CCCC1)C | 3 |
C(C)(=O)O[C@H]1[C@H](SCCCCCCC)OC[C@H]([C@@H]1OC(C)=O)OC(C)=O>CO[H].[OH-].[Li+]>S([C@H]1[C@H](O)[C@@H](O)[C@H](O)CO1)CCCCCCC | 3 |
BrC=1C=C(SC1)C(CC(=C)CO)(C)NC(=S)NC(OCC1C2=CC=CC=C2C=2C=CC=CC12)=O>C1CCCO1.II>BrC=1C=C(SC1)C1(N=C(SC(C1)(CI)CO)NC(OCC1C2=CC=CC=C2C=2C=CC=CC12)=O)C | 3 |
C(C1=CC=CC=C1)OC1=CC=2[C@@H]3N(N4C(C2C=C1OC)=CC(C(=C4)C(=O)OCC)=O)C(CC3)(C)C>CCO[H].[HH].[Pd]>OC1=CC=2[C@@H]3N(N4C(C2C=C1OC)=CC(C(=C4)C(=O)OCC)=O)C(CC3)(C)C | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)C(=O)O.C(C1=CC=CC=C1)O>C1(=CC=NC=C1)N(C)C.ClCCl.Cl.CN(CCCN=C=NCC)C>N1(CCC(CC1)C(=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C | 3 |
[CH:1]([C:4]1[CH:5]=[C:6]([CH3:11])[C:7]([NH2:10])=[N:8][CH:9]=1)([CH3:3])[CH3:2].[F:12][C:13]1[CH:18]=[CH:17][C:16]([S:19](Cl)(=[O:21])=[O:20])=[CH:15][CH:14]=1>N1C=CC=CC=1>[F:12][C:13]1[CH:18]=[CH:17][C:16]([S:19]([NH:10][C:7]2[C:6]([CH3:11])=[CH:5][C:4]([CH:1]([CH3:3])[CH3:2])=[CH:9][N:8]=2)(=[O:21])=[O:20])=[CH:15][CH:14]=1 | 1 |
N[C@@H]1CC[C@H](CC1)CCN1CCC(CC1)C1=CN(C2=CN=CC=C21)C2=C(C(=O)N(C)C(C)C)C=C(C=C2)F>ClCCl.CCN(CC)CC.C(C)(=O)OC(C)=O>C(C)(=O)N[C@@H]1CC[C@H](CC1)CCN1CCC(CC1)C1=CN(C2=CN=CC=C21)C2=C(C(=O)N(C)C(C)C)C=C(C=C2)F | 3 |
[F:1][C:2]1[CH:38]=[CH:37][C:5]([CH2:6][N:7]2[C:19](=[O:20])[C:18]3[C:17]([O:21][Si](C(C)C)(C(C)C)C(C)C)=[C:16]4[C:11]([CH:12]=[CH:13][CH:14]=[N:15]4)=[C:10]([NH:32][S:33]([CH3:36])(=[O:35])=[O:34])[C:9]=3[CH2:8]2)=[CH:4][CH:3]=1.[OH-].[K+].[CH3:41]OS(OC)(=O)=O.C(O)(C(F)(F)F)=O>O.C(#N)C.CO.CC(C)=O>[F:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:6][N:7]2[C:19](=[O:20])[C:18]3[C:17]([OH:21])=[C:16]4[C:11]([CH:12]=[CH:13][CH:14]=[N:15]4)=[C:10]([N:32]([CH3:41])[S:33]([CH3:36])(=[O:34])=[O:35])[C:9]=3[CH2:8]2)=[CH:37][CH:38]=1 | 2 |
[Br-].[CH2:2]([O:6][C:7]1[CH:12]=[CH:11][C:10]([CH2:13][P+](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=[CH:9][CH:8]=1)[CH2:3][CH2:4][CH3:5].[CH2:33]([C@H:38]1[CH2:43][CH2:42][C@H:41]([CH2:44][CH2:45][CH:46]=O)[CH2:40][CH2:39]1)[CH2:34][CH2:35][CH2:36][CH3:37].O>COC(C)(C)C>[CH2:2]([O:6][C:7]1[CH:8]=[CH:9][C:10]([CH:13]=[CH:46][CH2:45][CH2:44][C@H:41]2[CH2:40][CH2:39][C@H:38]([CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[CH2:43][CH2:42]2)=[CH:11][CH:12]=1)[CH2:3][CH2:4][CH3:5] | 1 |
CI.C(C)OC(CC1CN(CC1)C(=O)OC(C)(C)C)=O>O.C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>C(C)OC(C(C)C1CN(CC1)C(=O)OC(C)(C)C)=O | 3 |
N1=CC(=CC=C1)CN.C(C1=CC=CC=C1)OC1=C(CSC2=CC=C(C(=O)Cl)C=C2)C=CC=C1>ClCCl.CCN(CC)CC>N1=CC(=CC=C1)CNC(C1=CC=C(C=C1)SCC1=C(C=CC=C1)OCC1=CC=CC=C1)=O | 3 |
C(C1=CC=CC=C1)OC(=O)N1C[C@@H](C\C=C/C1)C(=O)O>>N1C[C@@H](CCCC1)C(=O)O | 5 |
FC(C1=C(C=CC=C1)C1=NC2=C(N1)C=CC=C2C(=O)O)(F)F.CC1(OC[C@H](O1)COC=1C=C(N)C=CC1)C>C(C)(C)N(C(C)C)CC.CN1C(CCC1)=O.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>CC1(OC[C@H](O1)COC=1C=C(C=CC1)NC(=O)C1=CC=CC=2NC(=NC21)C2=C(C=CC=C2)C(F)(F)F)C | 3 |
C(C)OC1=NN(C=C1CCCO)C1=NC=C(C=C1)C(F)(F)F.C(C)OC=1C(=C(C=CC1)CC(=O)OC)O>>C(C)OC=1C(=C(C=CC1)CC(=O)O)OCCCC=1C(=NN(C1)C1=NC=C(C=C1)C(F)(F)F)OCC | 5 |
BrC1=CC=C(C=C1)F.COC=1C=C(C=CC1)NC1=NC(=NC(=C1)N(C)C)N1CCNCC1>>BrC1=CC=C(C=C1)N1CCN(CC1)C1=NC(=CC(=N1)NC1=CC(=CC=C1)OC)N(C)C | 5 |
Cl[C:2]1[N:7]=[N:6][C:5]([C:8]([NH2:10])=[O:9])=[C:4]([NH:11][C:12]2[CH:17]=[CH:16][CH:15]=[C:14]([CH2:18][CH3:19])[N:13]=2)[CH:3]=1.[NH2:20][C@@H:21]1[CH2:26][CH2:25][CH2:24][CH2:23][C@@H:22]1[NH:27][C:28](=[O:34])[O:29][C:30]([CH3:33])([CH3:32])[CH3:31]>CN1CCCC1=O>[C:30]([O:29][C:28](=[O:34])[NH:27][C@H:22]1[CH2:23][CH2:24][CH2:25][CH2:26][C@H:21]1[NH:20][C:2]1[N:7]=[N:6][C:5]([C:8](=[O:9])[NH2:10])=[C:4]([NH:11][C:12]2[CH:17]=[CH:16][CH:15]=[C:14]([CH2:18][CH3:19])[N:13]=2)[CH:3]=1)([CH3:33])([CH3:31])[CH3:32] | 1 |
NC1=NC=C(C=C1)F>C(C)(=O)O.IN1C(CCC1=O)=O>FC=1C=C(C(=NC1)N)I | 3 |
C(C)OC(=O)C1=C(N=C(S1)N)C>>NC=1SC(=C(N1)C)C(=O)O | 5 |
C(C)(C)(C)OC(=O)N1[C@@H](C[C@H](CC1)N)CC#N.ClC1=C(C(=NC=2C(N(C(=CC12)C(F)(F)F)C1=CC=CC2=CC=CC=C12)=O)O)[N+](=O)[O-]>CS(=O)C.C(C)(C)N(C(C)C)CC>C(#N)C[C@H]1N(CC[C@@H](C1)NC1=C(C(=NC=2C(N(C(=CC12)C(F)(F)F)C1=CC=CC2=CC=CC=C12)=O)O)[N+](=O)[O-])C(=O)OC(C)(C)C | 3 |
C(C)(CC)NC=1SC2=NC(=CC=C2N1)CO>>C(C)(CC)NC=1SC2=NC(=CC=C2N1)C=O | 5 |
C(C1=CC=CC=C1)OC(=O)N1CC=2N=C(N=C(C2CC1)NC1=NNC(=C1)C1CC1)N[C@@H](C)C1=CC=C(C=C1)F>CCO[H].[Pd]>C1(CC1)C1=CC(=NN1)NC=1C2=C(N=C(N1)N[C@@H](C)C1=CC=C(C=C1)F)CNCC2 | 3 |
Br[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12](O)=O.[CH2:15]([SH:27])[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26].C[O-:29].[Na+]>CO>[CH2:26]([CH2:25][CH2:24][CH2:23][CH2:22][CH2:21][CH2:20][CH2:19][CH2:18][CH2:17][CH2:16][C:15]([OH:29])=[S:27])[CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH3:2] | 1 |
C([O:8][C:9]1[CH:10]=[C:11]([C:15]([CH3:21])([CH3:20])[C:16]([O:18][CH3:19])=[O:17])[CH:12]=[CH:13][CH:14]=1)C1C=CC=CC=1>[C].[Pd].C(O)C>[OH:8][C:9]1[CH:10]=[C:11]([C:15]([CH3:21])([CH3:20])[C:16]([O:18][CH3:19])=[O:17])[CH:12]=[CH:13][CH:14]=1 | 2 |
[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]1[C:18]2[C:17]3[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=3[N:11]=[C:10]([NH2:19])[C:9]=2[N:8]=[CH:7]1.[C:20]([C:28]1[CH:36]=[CH:35][C:31]([C:32](Cl)=[O:33])=[CH:30][CH:29]=1)(=[O:27])[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1>>[NH2:19][C:10]1[C:9]2[N:8]=[CH:7][N:6]([CH2:5][CH2:4][CH2:3][CH2:2][NH:1][C:32](=[O:33])[C:31]3[CH:30]=[CH:29][C:28]([C:20](=[O:27])[C:21]4[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=4)=[CH:36][CH:35]=3)[C:18]=2[C:17]2[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=2[N:11]=1 | 1 |
C(C1=CC=CC=C1)OC1=C(C(=O)NCCCOC)C=C(C(=C1)OCC1=CC=CC=C1)Br>>C(C1=CC=CC=C1)OC1=C(C=C(C(=C1)OCC1=CC=CC=C1)Br)C1=NN=NN1CCCOC | 5 |
C(Br)(Br)(Br)[Br:2].[C:6]([C:10]1[CH:15]=[CH:14][C:13]([CH2:16]O)=[CH:12][C:11]=1[NH:18][C:19](=[O:35])[CH2:20][CH:21]1[C:34]2[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=2[O:28][C:27]2[C:22]1=[CH:23][CH:24]=[CH:25][CH:26]=2)([CH3:9])([CH3:8])[CH3:7].[C:36]1([P:42]([C:49]2C=[CH:53][CH:52]=[CH:51][CH:50]=2)[C:43]2[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=2)[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1.[C:55](OCC)(=O)C>C(Cl)Cl>[Br-:2].[C:6]([C:10]1[CH:15]=[CH:14][C:13]([C:16]2[CH:53]=[CH:52][CH:51]=[CH:50][C:49]=2[P+:42]([CH3:55])([C:36]2[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=2)[C:43]2[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=2)=[CH:12][C:11]=1[NH:18][C:19](=[O:35])[CH2:20][CH:21]1[C:22]2[CH:23]=[CH:24][CH:25]=[CH:26][C:27]=2[O:28][C:29]2[C:34]1=[CH:33][CH:32]=[CH:31][CH:30]=2)([CH3:7])([CH3:9])[CH3:8] | 1 |
Cl.BrC1=C(CC2CCNCC2)C=C(C=C1)OC.C(C)(=O)N[C@@H]1CC[C@H](CC1)CC(=O)O>>BrC1=C(CC2CCN(CC2)C(C[C@@H]2CC[C@H](CC2)NC(C)=O)=O)C=C(C=C1)OC | 5 |
C(C)(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C=1N(C2=CC=C(C=C2C1)Cl)S(=O)(=O)C1=CC=CC=C1>CO[H].ClCCl.[OH-].[Na+]>Cl.ClC=1C=C2C=C(NC2=CC1)S(=O)(=O)N1CCNCC1 | 3 |
BrC1=CC(=C(C(=C1)[N+](=O)[O-])N)OC>>BrC1=CC(=C(C(=C1)[N+](=O)[O-])NC(C)=O)OC | 5 |
[C:1](=O)([O-])[O-].[K+].[K+].[CH2:7]([O:11][C:12]1[CH:17]=[CH:16][C:15]([CH2:18][CH2:19][NH:20][C:21]2[C:26]([C:27]([OH:29])=[O:28])=[C:25]([CH2:30][CH3:31])[N:24]=[CH:23][N:22]=2)=[CH:14][CH:13]=1)[CH2:8][CH2:9][CH3:10].CI>CC(CC)=O>[CH2:7]([O:11][C:12]1[CH:13]=[CH:14][C:15]([CH2:18][CH2:19][NH:20][C:21]2[C:26]([C:27]([O:29][CH3:1])=[O:28])=[C:25]([CH2:30][CH3:31])[N:24]=[CH:23][N:22]=2)=[CH:16][CH:17]=1)[CH2:8][CH2:9][CH3:10] | 1 |
[P:1](=[O:5])([OH:4])([OH:3])[OH:2].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O.[F-].[Ca+2:22].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[S:27](=[O:31])(=[O:30])([OH:29])[OH:28]>>[P:1](=[O:2])([OH:5])([OH:4])[OH:3].[S:27]([O-:31])([O-:30])(=[O:29])=[O:28].[Ca+2:22] | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC=1C=CC(=C(C#N)C1)OC>[Na+].[BH4-].CCO[H].Cl[Ni]Cl>BrC=1C=CC(=C(CNC(OC(C)(C)C)=O)C1)OC | 3 |
FC(F)(F)S(O[C:7]1[CH:15]=[CH:14][CH:13]=[C:12]2[C:8]=1[C:9]1[CH:19]=[C:18]([Cl:20])[CH:17]=[N:16][C:10]=1[NH:11]2)(=O)=O.[N:23]1[CH:28]=[CH:27][CH:26]=[C:25](B(O)O)[CH:24]=1.C(=O)([O-])[O-].[Na+].[Na+].Cl>C(O)C.O.C1(C)C=CC=CC=1>[Cl:20][C:18]1[CH:17]=[N:16][C:10]2[NH:11][C:12]3[C:8]([C:9]=2[CH:19]=1)=[C:7]([C:25]1[CH:24]=[N:23][CH:28]=[CH:27][CH:26]=1)[CH:15]=[CH:14][CH:13]=3 | 2 |
OC1(CCC(CC1)C(=O)NC1CCN(C2(CC2)C1)C(=O)OC(C)(C)C)C(F)(F)F>ClCCl.C(=O)(C(F)(F)F)O>C1CC12NCCC(C2)NC(=O)C2CCC(CC2)(C(F)(F)F)O | 3 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:12]3=[N:13][CH:14]=[CH:15][CH:16]=[C:11]3[C:10]([C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)=[N:9]2)=[CH:4][CH:3]=1.[CH3:23][N:24]([CH3:29])[CH2:25][CH2:26][CH2:27]Cl.[C:30](=[O:33])([O-:32])[O-].[K+].[K+].CN(C)C=[O:39]>>[CH3:23][N:24]([CH3:29])[CH2:25][CH2:26][CH2:27][O:1][C:2]1[CH:3]=[CH:4][C:5]([N:8]2[C:12]3=[N:13][CH:14]=[CH:15][CH:16]=[C:11]3[C:10]([C:17]3[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=3)=[N:9]2)=[CH:6][CH:7]=1.[C:2]([O-:1])(=[O:39])/[CH:3]=[CH:4]\[C:30]([O-:32])=[O:33] | 1 |
BrC=1C(=C(C(=NC1CO)C)[C@@H](C(=O)OC(C)C)OC(C)(C)C)N1CCC(CC1)(C)C.FC1=CC=C(C=C1)C1OC2=CC=C(C=C2CC1)B1OC(C(O1)(C)C)(C)C>O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C(C)(C)(C)O[C@H](C(=O)OC(C)C)C=1C(=NC(=C(C1N1CCC(CC1)(C)C)C=1C=C2CCC(OC2=CC1)C1=CC=C(C=C1)F)CO)C | 3 |
FC1=C(C=CC=C1F)O.BrC(=CCC)Br>>BrC/C=C/COC1=C(C(=CC=C1)F)F | 5 |
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