smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH2:32][C:33]1[CH:34]=[N:35][C:36]([C:39]([F:42])([F:41])[F:40])=[CH:37][CH:38]=1)[CH2:10][CH2:11][C:12]1[S:16][C:15]([C:17]2[CH:18]=[CH:19][C:20]([N+:29]([O-])=O)=[C:21]([CH2:23][C:24](OCC)=[O:25])[CH:22]=2)=[N:14][N:13]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].Cl.C([O-])(O)=O.[Na+]>CCO.O.[Fe]>[O:25]=[C:24]1[CH2:23][C:21]2[C:20](=[CH:19][CH:18]=[C:17]([C:15]3[S:16][C:12]([CH2:11][CH2:10][C@@H:9]([NH:8][C:6](=[O:7])[O:5][C:1]([CH3:2])([CH3:3])[CH3:4])[CH2:32][C:33]4[CH:34]=[N:35][C:36]([C:39]([F:42])([F:41])[F:40])=[CH:37][CH:38]=4)=[N:13][N:14]=3)[CH:22]=2)[NH:29]1 | 1 |
ClC1=CC=C(C=C1)O.ClC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F>O.[OH-].[Na+].CS(=O)C>ClC1=CC=C(OC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C=C1 | 3 |
[NH2:1][C@@:2]([C:9]1[C:14]([F:15])=[CH:13][CH:12]=[C:11]([Br:16])[N:10]=1)([CH3:8])[C:3]([F:7])([F:6])[CH2:4][OH:5].C([O-])(O)=O.[Na+].[N:22]#[C:23]Br>CCO>[Br:16][C:11]1[N:10]=[C:9]([C@:2]2([CH3:8])[C:3]([F:6])([F:7])[CH2:4][O:5][C:23]([NH2:22])=[N:1]2)[C:14]([F:15])=[CH:13][CH:12]=1 | 1 |
C(C)N1C(NC2=C(C1=O)C(=C(S2)C(=O)OCC)C)=O>>C(C)N1C(NC2=C(C1=O)C(=C(S2)C(=O)NN)C)=O | 5 |
[Cl:1][C:2]1[N:3]=[C:4]([N:19]2[CH2:24][CH2:23][O:22][CH2:21][CH2:20]2)[C:5]2[CH:10]=[CH:9][N:8]([CH2:11][C:12]3[CH:13]=[C:14]([CH:16]=[CH:17][CH:18]=3)[NH2:15])[C:6]=2[N:7]=1.CC[N:27]([CH2:30]C)CC.ClC(Cl)([O:35]C(=O)OC(Cl)(Cl)Cl)Cl.[OH-].[NH4+]>C1COCC1>[Cl:1][C:2]1[N:3]=[C:4]([N:19]2[CH2:24][CH2:23][O:22][CH2:21][CH2:20]2)[C:5]2[CH:10]=[CH:9][N:8]([CH2:11][C:12]3[CH:13]=[C:14]([NH:15][C:30]([NH2:27])=[O:35])[CH:16]=[CH:17][CH:18]=3)[C:6]=2[N:7]=1 | 2 |
BrC1=NC=C(N=C1)Cl.CC1(OB(OC1(C)C)C1=C(C=C(C=C1)OC(F)(F)F)C)C>O.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].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]>ClC1=NC=C(N=C1)C1=C(C=C(C=C1)OC(F)(F)F)C | 3 |
[NH2:1][C:2]1[N:7]=[C:6]([CH3:8])[C:5]([CH2:9][C:10]2[CH:15]=[CH:14][C:13]([OH:16])=[CH:12][CH:11]=2)=[C:4]([NH:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[N:3]=1.C([O-])([O-])=O.[Cs+].[Cs+].Br[CH2:30][CH2:31][CH2:32][OH:33].[Na+].[I-]>CN(C=O)C.O>[NH2:1][C:2]1[N:7]=[C:6]([CH3:8])[C:5]([CH2:9][C:10]2[CH:15]=[CH:14][C:13]([O:16][CH2:30][CH2:31][CH2:32][OH:33])=[CH:12][CH:11]=2)=[C:4]([NH:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[N:3]=1 | 2 |
C(C)(C)(C)OC(=O)N1[C@H]([C@@H](OC[C@@H]1[C@H]([C@H](CC1=CC(=CC=C1)O)NC(C)=O)O)OCC(C)(C)C)C>>FC(C(=O)O)(F)F.CC(CO[C@@H]1OC[C@@H](N[C@H]1C)[C@H]([C@H](CC1=CC(=CC=C1)O)NC(C)=O)O)(C)C | 5 |
C(C)(C)(C)OC(=O)NC(COC1=NOC2=C1C=C(C=C2)Cl)CC2=CC(=NO2)O>CO[H].Cl.C(C)(C)O>Cl.NC(COC1=NOC2=C1C=C(C=C2)Cl)CC2=CC(=NO2)O | 3 |
OCC1=C(N=C2N1C(=NC=C2)N2CCN(CC2)C(=O)OCC2C1=CC=CC=C1C=1C=CC=CC21)CN([C@H]2CCCC=1C=CC=NC21)C>N(C)(C)C=O.N1CCCCC1>CN([C@H]1CCCC=2C=CC=NC12)CC=1N=C2N(C(=NC=C2)N2CCNCC2)C1CO | 3 |
[Cl:1][C:2]1[N:7]=[C:6](Cl)[C:5]([Cl:9])=[CH:4][N:3]=1.[CH:10]1([NH2:14])[CH2:13][CH2:12][CH2:11]1>CCN(C(C)C)C(C)C>[CH:10]1([NH:14][C:6]2[C:5]([Cl:9])=[CH:4][N:3]=[C:2]([Cl:1])[N:7]=2)[CH2:13][CH2:12][CH2:11]1 | 1 |
CN.CO\N=C(\C(=O)OC)/C1=C(C(=CC=C1)C)CO/N=C(\C)/C1=NC=CC(=C1)C(F)(F)F>C1CCCO1>CO\N=C(\C(=O)NC)/C1=C(C(=CC=C1)C)CO/N=C(\C)/C1=NC=CC(=C1)C(F)(F)F | 3 |
IC1=CC(=C(C(=C1C(=O)OC)OC)C)OC.C(CCC)[Sn](\C(\CO)=C\CO)(CCCC)CCCC>N(C)(C)C=O.[Cl-].[Li+].[Pd]>OC\C=C\1/COC(C2=C(C(=C(C=C12)OC)C)OC)=O.OCC1OC(C2=C(C(=C(C=C2C1=C)OC)C)OC)=O.OC=1C(=C(C=C2C(C(OC(C12)=O)CO)=C)OC)C | 3 |
C(C1=CC=CC=C1)OCC1OCC(CO1)(C)C>>CC1(COC(OC1)CO)C | 5 |
Cl[C:2]1[C:7]([CH:8]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])[C:9]([O:11][CH3:12])=[O:10])=[C:6]([CH3:18])[N:5]=[C:4]2[S:19][C:20]3[CH2:25][CH2:24][CH2:23][CH2:22][C:21]=3[C:3]=12.C(=O)([O-])[O-].[K+].[K+].[CH3:32][N:33]1[CH:37]=[C:36](B2OC(C)(C)C(C)(C)O2)[CH:35]=[N:34]1.C(OCC)(=O)C>COCCOC.O.[Pd].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>[CH3:18][C:6]1[N:5]=[C:4]2[S:19][C:20]3[CH2:25][CH2:24][CH2:23][CH2:22][C:21]=3[C:3]2=[C:2]([C:36]2[CH:35]=[N:34][N:33]([CH3:32])[CH:37]=2)[C:7]=1[CH:8]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])[C:9]([O:11][CH3:12])=[O:10] | 2 |
[Na].[C:2]([C:5]1[O:6][C:7](O)=[CH:8][CH:9]=1)([OH:4])=[O:3].[CH3:11][O:12][C:13]1[CH:20]=[CH:19][C:16]([CH2:17]Cl)=[CH:15][CH:14]=1.CN([CH:24]=[O:25])C>>[CH3:11][O:12][C:13]1[CH:20]=[CH:19][C:16]([CH2:17][O:4][C:2]([C:5]2[O:6][C:7]([CH2:24][OH:25])=[CH:8][CH:9]=2)=[O:3])=[CH:15][CH:14]=1 | 1 |
CS(=O)(=O)Cl.NCC1=CC=C(C(=O)OC)C=C1>ClCCl>CS(=O)(=O)NCC1=CC=C(C(=O)OC)C=C1 | 3 |
[F:1][C:2]1([F:52])[CH:7]([O:8][C:9]2[C:14]([C:15]#[N:16])=[CH:13][C:12]([C:17]3[CH:22]=[CH:21][N:20]=[C:19]4[N:23](S(C5C=CC(C)=CC=5)(=O)=O)[C:24]([C:26]5[CH:31]=[CH:30][C:29]([N:32]6[CH2:37][CH2:36][N:35]([CH:38]7[CH2:41][O:40][CH2:39]7)[CH2:34][CH2:33]6)=[CH:28][CH:27]=5)=[CH:25][C:18]=34)=[N:11][CH:10]=2)[CH2:6][CH2:5][NH:4][CH2:3]1.[C:53]([O-:56])([O-])=O.[Cs+].[Cs+].C1C[O:62][CH2:61]C1>>[F:52][C:2]1([F:1])[CH:7]([O:8][C:9]2[C:14]([C:15]#[N:16])=[CH:13][C:12]([C:17]3[CH:22]=[CH:21][N:20]=[C:19]4[NH:23][C:24]([C:26]5[CH:31]=[CH:30][C:29]([N:32]6[CH2:33][CH2:34][N:35]([CH:38]7[CH2:41][O:40][CH2:39]7)[CH2:36][CH2:37]6)=[CH:28][CH:27]=5)=[CH:25][C:18]=34)=[N:11][CH:10]=2)[CH2:6][CH2:5][N:4]([C:53](=[O:56])[CH2:61][OH:62])[CH2:3]1 | 2 |
ClC1=C2C(=NN(C2=CC(=C1)CN(C(OC(C)(C)C)=O)C1CC1)CCCOC)C>>C1(CC1)N(C(OC(C)(C)C)=O)CC1=CC(=C2C(=NN(C2=C1)CCCOC)C)O | 5 |
[Cl:1][C:2]1[CH:19]=[C:18]([N+:20]([O-])=O)[CH:17]=[CH:16][C:3]=1[O:4][CH2:5][C:6]1[CH:15]=[CH:14][C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[N:7]=1>CC(O)=O.CCOC(C)=O.[Fe]>[Cl:1][C:2]1[CH:19]=[C:18]([NH2:20])[CH:17]=[CH:16][C:3]=1[O:4][CH2:5][C:6]1[CH:15]=[CH:14][C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[N:7]=1 | 1 |
C(C=C)(=O)Cl.N1CC(C1)COC=1C=2N(C=C(C1)C1=C(C(=C(C=C1)O)F)F)C=NC2>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>FC1=C(C=CC(=C1F)O)C=1C=C(C=2N(C1)C=NC2)OCC2CN(C2)C(C=C)=O | 3 |
C(C)(=O)NC=1SC(=C(N1)C)C=1N=C(SC1)C(=O)NCC1OCCC1.C(C)(C)C1=NC(=NO1)CCN>>C(#N)CC=1SC=C(N1)C1=C(N=C(S1)NC(=O)NCCC1=NOC(=N1)C(C)C)C | 5 |
[CH3:1][O:2][C:3]1[C:8]([O:9][CH3:10])=[C:7]([C:11]2[CH:12]=[N:13][N:14]([C:18]3[CH:33]=[CH:32][C:21]([C:22]([NH:24][CH2:25][CH:26]4[CH2:31][CH2:30][O:29][CH2:28][CH2:27]4)=[O:23])=[CH:20][N:19]=3)[C:15]=2[O:16]C)[CH:6]=[CH:5][N:4]=1.[Cl-].[Li+]>CC(N(C)C)=O>[CH3:1][O:2][C:3]1[C:8]([O:9][CH3:10])=[C:7]([C:11]2[CH:12]=[N:13][N:14]([C:18]3[CH:33]=[CH:32][C:21]([C:22]([NH:24][CH2:25][CH:26]4[CH2:31][CH2:30][O:29][CH2:28][CH2:27]4)=[O:23])=[CH:20][N:19]=3)[C:15]=2[OH:16])[CH:6]=[CH:5][N:4]=1 | 1 |
C(OC(=O)[NH:7][C@@H:8]([CH3:19])[C@@H:9]([C:11]1[CH:16]=[CH:15][C:14]([CH2:17][CH3:18])=[CH:13][CH:12]=1)[OH:10])(C)(C)C.Cl>C(#N)C.O>[NH2:7][C@@H:8]([CH3:19])[C@@H:9]([C:11]1[CH:16]=[CH:15][C:14]([CH2:17][CH3:18])=[CH:13][CH:12]=1)[OH:10] | 1 |
[CH:1]1([C:6]([N:8]2[CH2:13][CH:12]([C:14]3[CH:19]=[CH:18][C:17]([CH2:20][CH3:21])=[CH:16][CH:15]=3)[CH2:11][CH:10]([C:22]([OH:24])=O)[CH2:9]2)=[O:7])[CH2:5][CH2:4][CH2:3][CH2:2]1.O[N:26]=[C:27]([NH2:35])[CH2:28][N:29]1[CH2:34][CH2:33][O:32][CH2:31][CH2:30]1>>[CH:1]1([C:6]([N:8]2[CH2:13][CH:12]([C:14]3[CH:15]=[CH:16][C:17]([CH2:20][CH3:21])=[CH:18][CH:19]=3)[CH2:11][CH:10]([C:22]3[O:24][N:35]=[C:27]([CH2:28][N:29]4[CH2:34][CH2:33][O:32][CH2:31][CH2:30]4)[N:26]=3)[CH2:9]2)=[O:7])[CH2:2][CH2:3][CH2:4][CH2:5]1 | 1 |
[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH2:3][C:2]1=[O:10].[N:11]1([CH2:16][CH2:17][O:18][C:19]2[CH:20]=[C:21]3[C:25](=[CH:26][CH:27]=2)[NH:24][C:23]([CH:28]=O)=[CH:22]3)[CH2:15][CH2:14][CH2:13][CH2:12]1.N1CCCCC1>C(O)C>[N:11]1([CH2:16][CH2:17][O:18][C:19]2[CH:20]=[C:21]3[C:25](=[CH:26][CH:27]=2)[NH:24][C:23]([CH:28]=[C:3]2[C:4]4[C:9](=[CH:8][CH:7]=[CH:6][CH:5]=4)[NH:1][C:2]2=[O:10])=[CH:22]3)[CH2:12][CH2:13][CH2:14][CH2:15]1 | 1 |
[I-].C[N+]1[CH:7]=[CH:6][N:5]([C:8](/[N:10]=[C:11]2\[S:12][C:13]([CH3:26])=[CH:14][N:15]\2[C:16]2[CH:21]=[CH:20][C:19]([C:22]([F:25])([F:24])[F:23])=[CH:18][CH:17]=2)=[O:9])[CH:4]=1.N1CCC[CH2:28]1.CCN(C(C)C)C(C)C>C(#N)C.ClCCl>[CH3:26][C:13]1[S:12]/[C:11](=[N:10]\[C:8]([N:5]2[CH2:6][CH2:7][CH2:28][CH2:4]2)=[O:9])/[N:15]([C:16]2[CH:21]=[CH:20][C:19]([C:22]([F:25])([F:24])[F:23])=[CH:18][CH:17]=2)[CH:14]=1 | 1 |
[Cl:1][C:2]1[CH:11]=[CH:10][C:9]2[NH:8][C:7](=[O:12])[N:6]3[N:13]=[C:14]([CH2:16][OH:17])[CH:15]=[C:5]3[C:4]=2[CH:3]=1.[C:18](OC(=O)C)(=[O:20])[CH3:19]>N1C=CC=CC=1>[Cl:1][C:2]1[CH:11]=[CH:10][C:9]2[NH:8][C:7](=[O:12])[N:6]3[N:13]=[C:14]([CH2:16][O:17][C:18](=[O:20])[CH3:19])[CH:15]=[C:5]3[C:4]=2[CH:3]=1 | 1 |
Br[CH2:2][CH:3]1[O:7][CH2:6][CH2:5][O:4]1.[CH2:8]([CH2:10][NH2:11])[OH:9].C(=O)([O-])[O-].[K+].[K+].ClCCl>O1CCOCC1>[NH3:11].[O:4]1[CH2:5][CH2:6][O:7][CH:3]1[CH2:2][NH:11][CH2:10][CH2:8][OH:9] | 1 |
FC(C1=CC=C(C=CC(=O)O)C=C1)(F)F>S(O)(O)(=O)=O.CCO[H]>C(C)OC(C=CC1=CC=C(C=C1)C(F)(F)F)=O | 3 |
N(N)C1=NC(=NC=C1)C(F)(F)F.CN(\C=C(\C(C1=CC=C(C=C1)C(F)(F)F)=O)/N1C=CC=2C=CC=NC2C1=O)C>CCO[H]>FC(C1=CC=C(C=C1)C1=NN(C=C1N1C=CC=2C=CC=NC2C1=O)C1=NC(=NC=C1)C(F)(F)F)(F)F | 3 |
CN(S(=O)(=O)Cl)C.BrC=1C=C2C(=CN(C2=CC1)CC(C)C)CCN>ClCCl.C(C)(C)N(C(C)C)CC>BrC=1C=C2C(=CN(C2=CC1)CC(C)C)CCNS(=O)(=O)N(C)C | 3 |
N1C=NC2=C1C=C(C=C2)C=2SC1=C(N2)C=C(C(=C1C1=CC=C(C=C1)Cl)[C@@H](C(=O)OCC)OC(C)(C)C)C>C1CCCO1.CO[H].[OH-].[Na+]>N1C=NC2=C1C=C(C=C2)C=2SC1=C(N2)C=C(C(=C1C1=CC=C(C=C1)Cl)[C@@H](C(=O)O)OC(C)(C)C)C | 3 |
NC1CC2=CC=CC=C2C1.N(=C=S)C1=C(C(=O)OC)C=CC(=C1)C(F)(F)F>>C1C(CC2=CC=CC=C12)N1C(NC2=CC(=CC=C2C1=O)C(F)(F)F)=S | 5 |
C(#N)/C(/C(=O)OC)=C(\C)/OCC>COC(N(C)C)OC>C(#N)/C(/C(=O)OC)=C(\C=C\N(C)C)/OCC | 3 |
[H-].[Na+].[Cl:3][C:4]1[CH:5]=[C:6]2[C:12]([CH2:13][CH2:14][C:15]([O:17][CH3:18])=[O:16])=[C:11]([C:19]3[CH:24]=[CH:23][C:22]([Cl:25])=[CH:21][CH:20]=3)[NH:10][C:7]2=[N:8][CH:9]=1.I[CH3:27].O>CN(C)C=O>[Cl:3][C:4]1[CH:5]=[C:6]2[C:12]([CH2:13][CH2:14][C:15]([O:17][CH3:18])=[O:16])=[C:11]([C:19]3[CH:20]=[CH:21][C:22]([Cl:25])=[CH:23][CH:24]=3)[N:10]([CH3:27])[C:7]2=[N:8][CH:9]=1 | 1 |
[Si:1]([O:8][CH2:9][C:10]1([CH3:30])[S:16][CH2:15][CH2:14][N:13]2[C:17]([C:20]3([C:23]4[CH:28]=[CH:27][C:26](Cl)=[CH:25][CH:24]=4)[CH2:22][CH2:21]3)=[N:18][N:19]=[C:12]2[CH2:11]1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].[N:31]1[CH:36]=[CH:35][CH:34]=[C:33](B(O)O)[CH:32]=1.C1(P(C2CCCCC2)C2CCCCC2)CCCCC1.P([O-])([O-])([O-])=O.[K+].[K+].[K+].C(=O)([O-])O.[Na+]>O1CCOCC1.O.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd]>[Si:1]([O:8][CH2:9][C:10]1([CH3:30])[S:16][CH2:15][CH2:14][N:13]2[C:17]([C:20]3([C:23]4[CH:28]=[CH:27][C:26]([C:33]5[CH:32]=[N:31][CH:36]=[CH:35][CH:34]=5)=[CH:25][CH:24]=4)[CH2:22][CH2:21]3)=[N:18][N:19]=[C:12]2[CH2:11]1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2] | 1 |
COC(CC1(CN(C1)C(=O)OC(C)(C)C)N1CCC(CC1)N[C@H]1[C@@H](C1)C1=CC=CC=C1)=O>ClCCl.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F.C(C)(C)N(C(C)C)CC.C(O)([O-])=O.[Na+]>COC(CC1(CN(C1)C(=O)OC(C)(C)C)N1CCC(CC1)N(C(C(F)(F)F)=O)[C@H]1[C@@H](C1)C1=CC=CC=C1)=O | 3 |
C(C)C1=C(C=CC=C1)O>C(Cl)(Cl)(Cl)[H].BrBr>BrC1=CC(=C(C=C1)O)CC | 3 |
NCC1(CC1)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)NCC2(CC2)O)(C)C2=CC=CC=C2 | 3 |
[C:1]1([S:7]([C:10]2[C:11]([S:21][CH3:22])=[N:12][N:13]3[C:18](O)=[CH:17][C:16]([CH3:20])=[N:15][C:14]=23)(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.O=P(Cl)(Cl)[Cl:25]>>[C:1]1([S:7]([C:10]2[C:11]([S:21][CH3:22])=[N:12][N:13]3[C:18]([Cl:25])=[CH:17][C:16]([CH3:20])=[N:15][C:14]=23)(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
COC=1C=C(C(=O)O)C=CC1N.ClC=1N=CC2=C(N(CC(C(N2C)=O)(F)F)C(C)C)N1>C(C)O.Cl.O>FC1(C(N(C2=C(N(C1)C(C)C)N=C(N=C2)NC2=C(C=C(C(=O)O)C=C2)OC)C)=O)F | 3 |
[C:1]([Cu])#[N:2].Br[C:5]1[CH:14]=[C:13]2[C:8]([CH:9]=[CH:10][C:11](=[O:20])[N:12]2[CH2:15][C:16]([O:18][CH3:19])=[O:17])=[CH:7][CH:6]=1>CN(C=O)C.CCOCC.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>[C:1]([C:5]1[CH:14]=[C:13]2[C:8]([CH:9]=[CH:10][C:11](=[O:20])[N:12]2[CH2:15][C:16]([O:18][CH3:19])=[O:17])=[CH:7][CH:6]=1)#[N:2] | 1 |
C(C)(C)(C)OC(=O)NC1=C(C=C(C=C1)C1=CC=C(C=C1)F)NC(=O)C1=CC=C(C=C1)S(=NC(OC(C)(C)C)=O)(=O)C1CC1>ClCCl.C(=O)(C(F)(F)F)O>NC1=C(C=C(C=C1)C1=CC=C(C=C1)F)NC(C1=CC=C(C=C1)S(=O)(=N)C1CC1)=O | 3 |
C(CCC)[Sn](C=1N=NN(C1)CC(=O)OC)(CCCC)CCCC>O.C1CCCO1.[OH-].[Li+]>C(CCC)[Sn](C=1N=NN(C1)CC(=O)O)(CCCC)CCCC | 3 |
C(C=CC)C1C(C2=CC(=CC=C2C1)OC)=O>CO[H].ClCCl.O=[O+][O-]>O=CCC1C(C2=CC(=CC=C2C1)OC)=O | 3 |
[C:1]([C:4]1[C:8]([CH2:9][O:10]C)=[C:7]([C:12]2[CH:17]=[CH:16][N:15]=[CH:14][CH:13]=2)[NH:6][C:5]=1[C:18]1[CH:23]=[CH:22][N:21]=[CH:20][CH:19]=1)(=[O:3])[CH3:2].C(=O)(O)[O-].[Na+]>Cl>[C:1]([C:4]1[C:8]([CH2:9][OH:10])=[C:7]([C:12]2[CH:13]=[CH:14][N:15]=[CH:16][CH:17]=2)[NH:6][C:5]=1[C:18]1[CH:23]=[CH:22][N:21]=[CH:20][CH:19]=1)(=[O:3])[CH3:2] | 1 |
BrC=1C(=NC=CC1)C#N.NC1=CC(=NN1C)C(C)(C)C>C1(=CC=CC=C1)C.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.C(=O)([O-])[O-].[Cs+].[Cs+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>C(C)(C)(C)C1=NN(C(=C1)NC=1C(=NC=CC1)C#N)C | 3 |
CC(C[AlH]CC(C)C)C.[C:10]1([C:16]2[CH:23]=[CH:22][CH:21]=[CH:20][C:17]=2[C:18]#N)[CH2:15][CH2:14][CH2:13][CH2:12][CH:11]=1.C([O:26]CC)C.S(=O)(=O)(O)O>C(Cl)Cl>[C:10]1([C:16]2[CH:23]=[CH:22][CH:21]=[CH:20][C:17]=2[CH:18]=[O:26])[CH2:15][CH2:14][CH2:13][CH2:12][CH:11]=1 | 1 |
CC1=C2C=CNC2=C(C=C1C#N)C>>CC1=C2C=CNC2=C(C=C1C(=O)O)C | 5 |
Cl.[N+](=O)([O-])C1=CC=C(O[C@@H]2CNCC2)C=C1>ClCCl.CCN(CC)CC.C(C)(=O)Cl>[N+](=O)([O-])C1=CC=C(O[C@@H]2CN(CC2)C(C)=O)C=C1 | 3 |
Br[C:2]1[C:14]2[C:13]3[C:8](=[CH:9][CH:10]=[C:11]([F:15])[CH:12]=3)[NH:7][C:6]=2[C:5]([O:16][CH2:17][CH2:18][N:19]([CH3:21])[CH3:20])=[C:4]2[NH:22][C:23]3[CH:24]=[CH:25][C:26]([F:29])=[CH:27][C:28]=3[C:3]=12.[CH3:30][N:31](C=O)C>[C-]#N.[Zn+2].[C-]#N.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>[CH3:20][N:19]([CH3:21])[CH2:18][CH2:17][O:16][C:5]1[C:6]2[NH:7][C:8]3[C:13](=[CH:12][C:11]([F:15])=[CH:10][CH:9]=3)[C:14]=2[C:2]([C:30]#[N:31])=[C:3]2[C:28]3[CH:27]=[C:26]([F:29])[CH:25]=[CH:24][C:23]=3[NH:22][C:4]=12 | 1 |
[S-]C#N.[K+].NC=1C=CC(=C(C(=O)OC)C1)OC1=CC(=C(C=C1)F)NC(CC1=CC(=CC=C1)C(F)(F)F)=O>BrBr.C(C)(=O)O>NC=1SC2=C(N1)C=CC(=C2C(=O)OC)OC2=CC(=C(C=C2)F)NC(CC2=CC(=CC=C2)C(F)(F)F)=O | 3 |
C(N)(OC(C)(C)C)=O.C(C)(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C=1C=NC=C(C1C)C=1C=C2C=C(N=CC2=C(C1F)Cl)NC1=NN2CC(N(CCC2=C1)CC(F)F)=O>C(Cl)(Cl)(Cl)[H].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+].CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C>C(C)(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C=1C=NC=C(C1C)C=1C=C2C=C(N=CC2=C(C1F)NC(=O)OC(C)(C)C)NC1=NN2CC(N(CCC2=C1)CC(F)F)=O | 3 |
[CH:1]([N:5]1[C:13]2[CH:12]=[C:11]([Cl:14])[N:10]=[CH:9][C:8]=2[C:7]([N:15]2[CH2:20][CH2:19][S:18][CH2:17][CH2:16]2)=[N:6]1)([CH2:3][CH3:4])[CH3:2].ClC1C=C(C=CC=1)C(OO)=[O:26]>ClCCl>[CH:1]([N:5]1[C:13]2[CH:12]=[C:11]([Cl:14])[N:10]=[CH:9][C:8]=2[C:7]([N:15]2[CH2:16][CH2:17][S:18](=[O:26])[CH2:19][CH2:20]2)=[N:6]1)([CH2:3][CH3:4])[CH3:2] | 2 |
ClC=1C=C(C=CC1)C1=CC(N(C2=CC=C(C=C12)C(C=1N(C=NC1)C)(N=CC1=CC=C(C=C1)OC)C=1C=NC(=CC1)Cl)CC1CC1)=O>>ClC=1C=C(C=CC1)C1=CC(N(C2=CC=C(C=C12)C(C=1N(C=NC1)C)(O)C=1C=NC(=CC1)Cl)CC1CC1)=O | 5 |
C(CCC)C=1N=C(N(C(C1CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)=O)C=1C=CC2=C(CCO2)C1)CC>>C(CCC)C1=C(C(N(C(=N1)CC)C=1C=CC2=C(CCO2)C1)=O)CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NOC(N1)=O | 5 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH2:14][CH2:15][O:16][CH3:17])[N:9]=[CH:8][N:7]=[C:6]2[NH:18][C:19]1[C:20]([CH:22]=[C:23]([O:27][C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=2)[C:24](=[O:26])[CH:25]=1)=[O:21].[CH2:34](O)C1C=CC=CC=1.C(N(CC)CC)C>C(Cl)Cl>[CH2:28]([O:27][C:23]1[C:24]([CH:25]=[C:19]([NH:18][C:6]2[C:5]3[C:10](=[CH:11][C:12]([O:13][CH2:14][CH2:15][O:16][CH3:17])=[C:3]([O:2][CH3:1])[CH:4]=3)[N:9]=[CH:8][N:7]=2)[C:20](=[O:21])[CH:22]=1)=[O:26])[C:29]1[CH:30]=[CH:31][CH:32]=[CH:33][CH:34]=1 | 2 |
[CH3:1][N:2]1[C:7](=[O:8])[CH:6]=[CH:5][C:4]([C:9](=[O:27])[CH2:10][C@H:11]([C:19]2[CH:26]=[CH:25][C:22]([C:23]#[N:24])=[CH:21][CH:20]=2)[C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=2[CH3:18])=[CH:3]1.[N-:28]=[N+:29]=[N-:30].[Na+].[Cl-].[NH4+]>CN(C)C=O>[NH:28]1[C:23]([C:22]2[CH:21]=[CH:20][C:19]([C@H:11]([C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=3[CH3:18])[CH2:10][C:9]([C:4]3[CH:5]=[CH:6][C:7](=[O:8])[N:2]([CH3:1])[CH:3]=3)=[O:27])=[CH:26][CH:25]=2)=[N:24][N:30]=[N:29]1 | 1 |
CO[C:3](=[O:18])[C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([C:10]2[N:11]=[N:12][C:13]([O:16][CH3:17])=[CH:14][CH:15]=2)[CH:5]=1.[C:19]([C:22]1[CH:23]=C(B(O)O)C=C[CH:27]=1)(O)=O.ClC1N=N[C:35]([O:38]C)=[CH:36]C=1.[O:40]=S(Cl)Cl>C(#N)C.C([O-])([O-])=O.[Na+].[Na+]>[C:22]([O:40][C:35](=[O:38])[CH2:36][C:3]([C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([C:10]2[N:11]=[N:12][C:13]([O:16][CH3:17])=[CH:14][CH:15]=2)[CH:5]=1)=[O:18])([CH3:19])([CH3:27])[CH3:23] | 1 |
BrC=1C=C(C=CC1)C(CC(=O)O)(C)NS(=O)C(C)(C)C>C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.NC(CC(=O)O)(C)C1=CC(=CC=C1)Br | 3 |
[CH3:1][C:2]([C:4]1[CH:9]=[CH:8][C:7]([NH2:10])=[CH:6][CH:5]=1)=[O:3].[S-:11][C:12]#[N:13].[K+].BrBr.[NH4+].[OH-]>C(O)(=O)C.O>[NH2:13][C:12]1[S:11][C:6]2[CH:5]=[C:4]([C:2](=[O:3])[CH3:1])[CH:9]=[CH:8][C:7]=2[N:10]=1 | 1 |
BrC=1C(=NNC1)N.F[P-](F)(F)(F)(F)F.CN(\C=C(\C=[N+](C)C)/C(F)(F)F)C>CCO[H].C(C)(=O)O>BrC=1C=NN2C1N=CC(=C2)C(F)(F)F | 3 |
ClC1=C(C(=CC=C1)I)Cl.C(C)(=O)O[C@H]1C[C@H]2[C@H]([C@H]([C@H]3[C@@H]4CC[C@H]([C@@H](CCC(=O)OC)C)[C@]4(CC[C@@H]3[C@]2(CC1)C)C)OC(C1=CC(=CC=C1)I)=O)CC>>C(C)(=O)O[C@H]1C[C@H]2[C@H]([C@H]([C@H]3[C@@H]4CC[C@]([C@@H](CCC(=O)OC)C)([C@]4(CC[C@@H]3[C@]2(CC1)C)C)Cl)OC(C1=CC(=CC=C1)I)=O)CC | 5 |
Br[C:2]1[CH:3]=[C:4]([CH2:9][CH2:10][C:11]2[NH:12][CH:13]=[C:14]([CH2:18][C:19]3[CH:20]=[N:21][C:22]([O:25][CH3:26])=[N:23][CH:24]=3)[C:15](=[O:17])[N:16]=2)[CH:5]=[CH:6][C:7]=1[F:8].[Cu][C:28]#[N:29]>CN1C(=O)CCC1>[F:8][C:7]1[CH:6]=[CH:5][C:4]([CH2:9][CH2:10][C:11]2[NH:12][CH:13]=[C:14]([CH2:18][C:19]3[CH:20]=[N:21][C:22]([O:25][CH3:26])=[N:23][CH:24]=3)[C:15](=[O:17])[N:16]=2)=[CH:3][C:2]=1[C:28]#[N:29] | 1 |
C1(=CC(=CC(=C1)CNCCCNCCCNCC(C)C)CNCCCNCCCNCC(C)C)C1=CC=CC=C1>Cl>Cl.C1(=CC(=CC(=C1)CNCCCNCCCNCC(C)C)CNCCCNCCCNCC(C)C)C1=CC=CC=C1 | 3 |
N[C@H]1CN(CC1)CC1=C(C=C2C(N(C(NC2=C1Cl)=O)CC1=C(C=CC(=C1)Cl)S(=O)(=O)CC)=O)C(F)(F)F>>ClC=1C(=C(C=C2C(N(C(NC12)=O)CC1=C(C=CC(=C1)Cl)S(=O)(=O)CC)=O)C(F)(F)F)CN1C[C@@H](CC1)NC(CN(C)C)=O | 5 |
[C:1]([OH:5])(=O)[CH2:2][OH:3].[Cl:6][C:7]1[CH:12]=[C:11]([NH:13][C:14]2[C:23]3[C:18](=[CH:19][CH:20]=[CH:21][C:22]=3[O:24][CH2:25][C@@H:26]([NH:28][CH3:29])[CH3:27])[N:17]=[CH:16][N:15]=2)[CH:10]=[CH:9][C:8]=1[OH:30]>>[Cl:6][C:7]1[CH:12]=[C:11]([NH:13][C:14]2[C:23]3[C:18](=[CH:19][CH:20]=[CH:21][C:22]=3[O:24][CH2:25][C@@H:26]([N:28]([CH3:29])[C:1](=[O:5])[CH2:2][OH:3])[CH3:27])[N:17]=[CH:16][N:15]=2)[CH:10]=[CH:9][C:8]=1[OH:30] | 1 |
ClC(C(=O)OCC)=O.C(C1=CC=CC=C1)OC1=C(C=C(N)C=C1)F>C(C)(C)N(C(C)C)CC>C(C1=CC=CC=C1)OC1=C(C=C(C=C1)NC(C(=O)OCC)=O)F | 3 |
[CH2:1]([O:8][C:9]([NH:11][C@H:12]([C:22]([OH:24])=[O:23])[CH2:13][NH:14][C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:25][Si:26]([CH:29](O)[CH3:30])([CH3:28])[CH3:27].C1CCC(N=C=NC2CCCCC2)CC1>ClCCl.CN(C1C=CN=CC=1)C>[CH2:1]([O:8][C:9]([NH:11][C@H:12]([C:22]([O:24][CH2:30][CH2:29][Si:26]([CH3:28])([CH3:27])[CH3:25])=[O:23])[CH2:13][NH:14][C:15]([O:17][C:18]([CH3:20])([CH3:19])[CH3:21])=[O:16])=[O:10])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
Br[C:2]1[CH:11]=[CH:10][C:9]2[N:8]=[CH:7][C:6]3[N:12]([CH3:23])[C:13](=[O:22])[N:14]([C:15]4[C:16]([CH3:21])=[N:17][N:18]([CH3:20])[CH:19]=4)[C:5]=3[C:4]=2[CH:3]=1.[CH3:24][C:25]1[N:26]([C:30]2[CH:35]=[CH:34][C:33](B3OC(C)(C)C(C)(C)O3)=[CH:32][N:31]=2)[CH:27]=[CH:28][N:29]=1>>[CH3:20][N:18]1[CH:19]=[C:15]([N:14]2[C:5]3[C:4]4[CH:3]=[C:2]([C:33]5[CH:32]=[N:31][C:30]([N:26]6[CH:27]=[CH:28][N:29]=[C:25]6[CH3:24])=[CH:35][CH:34]=5)[CH:11]=[CH:10][C:9]=4[N:8]=[CH:7][C:6]=3[N:12]([CH3:23])[C:13]2=[O:22])[C:16]([CH3:21])=[N:17]1 | 1 |
C(OCC)(OCC)(OCC)C.CC1(CC(CC(C1)(C)C)=CCO)C>>CC1(CC(CC(C1)(C)C)(C=C)CC(=O)OCC)C | 5 |
[C:1]([NH:5][C:6]1[CH:11]=[CH:10][C:9]([C:12]2[C:13]([O:19][CH3:20])=[N:14][C:15]([NH2:18])=[N:16][CH:17]=2)=[CH:8][C:7]=1[N+:21]([O-])=O)([CH3:4])([CH3:3])[CH3:2].C([O-])=O.[NH4+]>CO.[Zn]>[NH2:18][C:15]1[N:14]=[C:13]([O:19][CH3:20])[C:12]([C:9]2[CH:8]=[C:7]([NH2:21])[C:6]([NH:5][C:1]([CH3:3])([CH3:2])[CH3:4])=[CH:11][CH:10]=2)=[CH:17][N:16]=1 | 1 |
BrC=1C=NC=C(C1)S(=O)(=O)C.NC=1N=C2C(=NC1)N(C=C2C(=O)NC(C)(C)C)COCC[Si](C)(C)C>>C(C)(C)(C)NC(=O)C1=CN(C2=NC=C(N=C21)NC=2C=NC=C(C2)S(=O)(=O)C)COCC[Si](C)(C)C | 5 |
CC1=CC=C(C=C1)S(=O)(=O)OCC1OCC(CO1)(C)C>N(C)(C)C=O.O.O(C(C)(C)C)C.[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])CC1OCC(CO1)(C)C | 3 |
ClC=1C=CC=C2C=C(NC12)C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C[C@H]1C(NCCC1)=O)CC(C)(C)C>CO[H].N>NC([C@H](C[C@H]1C(NCCC1)=O)NC([C@H](CC(C)(C)C)NC(=O)C=1NC2=C(C=CC=C2C1)Cl)=O)=O | 3 |
[Cl:1][C:2]1[C:3]([CH3:30])=[C:4]([CH:28]=[CH2:29])[C:5]([O:26][CH3:27])=[C:6]([CH:8]([NH:10][C:11]2[N:19]=[CH:18][N:17]=[C:16]3[C:12]=2[N:13]=[CH:14][N:15]3[CH:20]2[CH2:25][CH2:24][CH2:23][CH2:22][O:21]2)[CH3:9])[CH:7]=1.ClC1C=CC=C(C(OO)=[O:39])C=1>C(Cl)Cl>[Cl:1][C:2]1[C:3]([CH3:30])=[C:4]([CH:28]2[CH2:29][O:39]2)[C:5]([O:26][CH3:27])=[C:6]([CH:8]([NH:10][C:11]2[N:19]=[CH:18][N:17]=[C:16]3[C:12]=2[N:13]=[CH:14][N:15]3[CH:20]2[CH2:25][CH2:24][CH2:23][CH2:22][O:21]2)[CH3:9])[CH:7]=1 | 1 |
FC=1C=C(CBr)C=CC1.FC(C=1C=C2C=C(NC2=CC1)C(=O)OCC)(F)F>N(C)(C)C=O.[H-].[Na+]>FC(C=1C=C2C=C(N(C2=CC1)CC1=CC(=CC=C1)F)C(=O)OCC)(F)F | 3 |
C(C)(C)(C)OC(=O)N1C[C@H](CC1)C(=O)O.Cl.N[C@@H](CCCNC(=N)NS(=O)(=O)C=1C(=C(C2=C(CC(O2)(C)C)C1C)C)C)C(=O)C=1SC2=C(N1)C=CC=C2>C1CCCO1.C(C)(=O)OCC.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>C(C)(C)(C)OC(=O)N1C[C@H](CC1)C(N[C@@H](CCCNC(NS(=O)(=O)C=1C(=C(C2=C(CC(O2)(C)C)C1C)C)C)=N)C(=O)C=1SC2=C(N1)C=CC=C2)=O | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:15][CH2:14][CH2:13][C@H:9]1[C:10]([OH:12])=[O:11])=[O:7])([CH3:4])([CH3:3])[CH3:2].CCN(C(C)C)C(C)C.Br[CH2:26][C:27]([C:29]1[CH:34]=[CH:33][C:32]([Cl:35])=[CH:31][CH:30]=1)=[O:28]>C(Cl)Cl>[N:8]1([C:6]([O:5][C:1]([CH3:4])([CH3:2])[CH3:3])=[O:7])[CH2:15][CH2:14][CH2:13][C@H:9]1[C:10]([O:12][CH2:26][C:27]([C:29]1[CH:34]=[CH:33][C:32]([Cl:35])=[CH:31][CH:30]=1)=[O:28])=[O:11] | 2 |
C(C)(C)(C)OC(=O)N1[C@]2(C[C@H]2CC1)C(=O)O.C(C)C=1C(=CC(=C(C1)O)F)C1=CC(=C2C(=NNC2=C1)C=1NC2=C(CNCC2)N1)F>N(C)(C)C=O.O.CO[H].C(=O)(C(F)(F)F)O.C(C)(C)N(C(C)C)CC.[OH-].[Li+].F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>[C@@]12(NCC[C@@H]2C1)C(=O)N1CC2=C(CC1)N=C(N2)C2=NNC1=CC(=CC(=C21)F)C2=C(C=C(C(=C2)F)O)CC | 3 |
[C:1]([C:3]1([C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([F:22])[N:17]=2)[CH2:8][CH2:7][N:6]([C:9]([O:11][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:10])[CH2:5][CH2:4]1)#[N:2].C(N(CC)CC)C.[H][H]>CO.[Ni]>[NH2:2][CH2:1][C:3]1([C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([F:22])[N:17]=2)[CH2:8][CH2:7][N:6]([C:9]([O:11][C:12]([CH3:14])([CH3:15])[CH3:13])=[O:10])[CH2:5][CH2:4]1 | 1 |
[Cl:1][C:2]1[CH:23]=[CH:22][C:5]2[O:6][C@H:7]([C:16]([NH:18][CH:19]([CH3:21])[CH3:20])=O)[O:8][C@H:9]([C:10]3[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=3)[C:4]=2[CH:3]=1.B#B.Cl>C1COCC1.CCOCC>[ClH:1].[Cl:1][C:2]1[CH:23]=[CH:22][C:5]2[O:6][C@H:7]([CH2:16][NH:18][CH:19]([CH3:20])[CH3:21])[O:8][C@H:9]([C:10]3[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=3)[C:4]=2[CH:3]=1 | 1 |
[Br:1][C:2]1[CH:7]=[C:6](F)[CH:5]=[CH:4][C:3]=1[N+:9]([O-:11])=[O:10].[NH:12]1[CH2:16][CH2:15][C@H:14]([NH:17][C:18](=[O:24])[O:19][C:20]([CH3:23])([CH3:22])[CH3:21])[CH2:13]1.C(=O)(O)[O-].[Na+].O>CS(C)=O>[Br:1][C:2]1[CH:7]=[C:6]([N:12]2[CH2:16][CH2:15][C@H:14]([NH:17][C:18](=[O:24])[O:19][C:20]([CH3:22])([CH3:21])[CH3:23])[CH2:13]2)[CH:5]=[CH:4][C:3]=1[N+:9]([O-:11])=[O:10] | 1 |
[CH:1]1[C:13]2[CH:12]([CH2:14][C:15](N(OC)C)=[O:16])[C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]=2[CH:4]=[CH:3][CH:2]=1.I[C:22]1[CH:27]=[CH:26][N:25]=[CH:24][CH:23]=1.[Li]CCCC>C1COCC1>[CH:1]1[C:13]2[CH:12]([CH2:14][C:15]([C:22]3[CH:27]=[CH:26][N:25]=[CH:24][CH:23]=3)=[O:16])[C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]=2[CH:4]=[CH:3][CH:2]=1 | 1 |
[CH3:1][N:2]([C:12]1[CH:17]=[CH:16][N:15]=[CH:14][CH:13]=1)[CH2:3][CH2:4][N:5]1[CH2:10][CH2:9][NH:8][CH2:7][C:6]1=[O:11].[Cl:18][C:19]1[CH:20]=[CH:21][C:22]2[CH:26]=[C:25]([S:27](Cl)(=[O:29])=[O:28])[S:24][C:23]=2[CH:31]=1>>[Cl:18][C:19]1[CH:20]=[CH:21][C:22]2[CH:26]=[C:25]([S:27]([N:8]3[CH2:9][CH2:10][N:5]([CH2:4][CH2:3][N:2]([CH3:1])[C:12]4[CH:13]=[CH:14][N:15]=[CH:16][CH:17]=4)[C:6](=[O:11])[CH2:7]3)(=[O:29])=[O:28])[S:24][C:23]=2[CH:31]=1 | 1 |
[C:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][C:15]([OH:17])=O)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Cl.Cl.[CH2:20]([O:27][C:28](=[O:36])[CH2:29][C@@H:30]([NH2:35])[CH2:31][N:32]([CH3:34])[CH3:33])[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1>>[CH2:20]([O:27][C:28](=[O:36])[CH2:29][C@@H:30]([NH:35][C:15](=[O:17])[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][C:1]1[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1)[CH2:31][N:32]([CH3:33])[CH3:34])[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1 | 1 |
O=C1NC(CCC1N1C(C2=CC=CC(=C2C1=O)N1CCN(CC1)CC1CCNCC1)=O)=O.C1(CCCC1)NC1=CC(=C2C(NC(=NC2=C1)CSC1CCN(CC1)CC(=O)O)=O)F>N(C)(C)C=O.ClCCl.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>C1(CCCC1)NC1=CC(=C2C(NC(=NC2=C1)CSC1CCN(CC1)CC(=O)N1CCC(CC1)CN1CCN(CC1)C1=C2C(N(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O)=O)=O)F | 3 |
FC(COS(=O)(=O)C(F)(F)F)(F)F.FC(C(=O)O)(F)F.C(C)(C)N1N=CN=C1C1=CN2CCOC3=C(C2=N1)C=CC(=C3)C3CCNCC3>>C(C)(C)N1N=CN=C1C=1N=C2N(CCOC3=C2C=CC(=C3)C3CCN(CC3)CC(F)(F)F)C1 | 5 |
N=1C=C(N2C1C=NC=C2)C2=CC(=C(C=C2)C2=CC=C(N=N2)N(C2CC(NC(C2)(C)C)(C)C)C)OC>C([O-])([O-])=O.[K+].[K+].CN1C(CCC1)=O.C1(=CC=CC=C1)S>N=1C=C(N2C1C=NC=C2)C=2C=CC(=C(C2)O)C=2N=NC(=CC2)N(C2CC(NC(C2)(C)C)(C)C)C | 3 |
[OH:1][C@H:2]([CH2:6][O:7][C:8]([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)([C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)[CH2:3][C:4]#[N:5].N.[OH:28]O>C(O)C>[OH:1][C@H:2]([CH2:6][O:7][C:8]([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)([C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)[C:15]1[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=1)[CH2:3][C:4]([NH2:5])=[O:28] | 1 |
C1(P(C2C=CC=CC=2)(C2C=CC=CC=2)=[C:8]([C:10]([O:12][CH2:13][CH3:14])=[O:11])[CH3:9])C=CC=CC=1.[N+:27]([C:30]1[CH:31]=[C:32]([CH:35]=[CH:36][CH:37]=1)[CH:33]=O)([O-:29])=[O:28]>C1C=CC=CC=1>[CH3:9][C:8](=[CH:33][C:32]1[CH:35]=[CH:36][CH:37]=[C:30]([N+:27]([O-:29])=[O:28])[CH:31]=1)[C:10]([O:12][CH2:13][CH3:14])=[O:11] | 1 |
[C:1](=[N:14][NH2:15])([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:16][C:17]([C:19]1[CH:24]=[CH:23][C:22]([F:25])=[CH:21][CH:20]=1)=O.C(Cl)(Cl)Cl>ClCCl>[C:2]1([C:1]([C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][CH:13]=2)=[N:14][N:15]=[C:17]([C:19]2[CH:24]=[CH:23][C:22]([F:25])=[CH:21][CH:20]=2)[CH3:16])[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
[CH3:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[C:9]2[CH:16]=[C:15]([CH2:17][O:18][C:19]3[CH:24]=[CH:23][C:22]([CH:25]([C:31]#[C:32][CH3:33])[CH2:26][C:27]([O:29]C)=[O:28])=[CH:21][CH:20]=3)[CH:14]=[CH:13][C:10]=2[S:11][CH:12]=1.[OH-].[Na+].C(O)(=O)CC(CC(O)=O)(C(O)=O)O>>[CH3:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[C:9]2[CH:16]=[C:15]([CH2:17][O:18][C:19]3[CH:20]=[CH:21][C:22]([CH:25]([C:31]#[C:32][CH3:33])[CH2:26][C:27]([OH:29])=[O:28])=[CH:23][CH:24]=3)[CH:14]=[CH:13][C:10]=2[S:11][CH:12]=1 | 2 |
[N+:1]([C:4]1[CH:12]=[C:11]2[C:7]([CH:8]=[N:9][NH:10]2)=[CH:6][CH:5]=1)([O-:3])=[O:2].[OH-].[Na+].[I:15]I>O1CCOCC1>[I:15][C:8]1[C:7]2[C:11](=[CH:12][C:4]([N+:1]([O-:3])=[O:2])=[CH:5][CH:6]=2)[NH:10][N:9]=1 | 2 |
CNC(=O)C1=C(OC2=C1C=C(C(=C2)N(S(=O)(=O)C)C)B2OC(C(O2)(C)C)(C)C)C=2C=NC(=CC2)C(F)(F)F.ClC1=CC2=C(N=CN3C2=CC=2C(=CC=CC32)F)C=N1>>FC=1C=2C=C3N(C2C=CC1)C=NC1=C3C=C(N=C1)C=1C(=CC3=C(C(=C(O3)C=3C=NC(=CC3)C(F)(F)F)C(=O)NC)C1)N(S(=O)(=O)C)C | 5 |
C(=O)C1=CNC2=CC=CC=C12.C1(=CC=CC=C1)S(=O)(=O)Cl>CO[H].CCO[H].CC(=O)C.[OH-].[K+]>C1(=CC=CC=C1)S(=O)(=O)N1C=CC2=CC(=CC=C12)C=O | 3 |
BrC=1C(=C(C[C@@H]2N(CC[C@@H]2NS(=O)(=O)C)C(C(C)C)=O)C=CC1)F>C1CCCO1.C1(=CC=CC=C1)B(O)O.C(O)([O-])=O.[Na+].P(=O)([O-])([O-])[O-].[K+].[K+].[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>FC1=C(C=CC=C1C[C@@H]1N(CC[C@@H]1NS(=O)(=O)C)C(C(C)C)=O)C1=CC=CC=C1 | 4 |
CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]1COC2=C(O1)C=C(C(=C2)F)[N+](=O)[O-]>>CC1=CC=C(C=C1)S(=O)(=O)OCC1COC2=C(O1)C=C(C(=C2)F)N | 5 |
ClC1=CC2=C(C3=C(C[N+](=C2C2=C(C=CC=C2)Cl)[O-])C=NC=N3)C=C1>C(C)(=O)OC(C)=O>C(C)(=O)OC1N=C(C2=C(C3=C1C=NC=N3)C=CC(=C2)Cl)C2=C(C=CC=C2)Cl | 3 |
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