smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
BrC1=CC(=C(CNC(=O)C2=C(OCC(=O)O)C=CC(=C2)[N+](=O)[O-])C=C1)F>>NC1=CC(=C(OCC(=O)O)C=C1)C(NCC1=C(C=C(C=C1)Br)F)=O | 5 |
NC=1N=CC(=NC1CC1=CC=CC=C1)C=1C=C(C(=O)OC(C)(C)C)C=CC1.[N+](=[N-])=C(C(=O)OC)P(=O)(OCC)OCC>ClC1=CC=CC=C1.C(C)(=O)[O-].[Rh+3].C(C)(=O)[O-].C(C)(=O)[O-]>C(C1=CC=CC=C1)C1=C(N=CC(=N1)C=1C=C(C(=O)OC(C)(C)C)C=CC1)NC(C(=O)OC)P(=O)(OCC)OCC | 3 |
N(=[N+]=[N-])[C@H]1[C@H](CCCCC1)N=[N+]=[N-]>CCO[H].[HH].[Pd]>[C@@H]1([C@H](CCCCC1)N)N | 3 |
ClC1=C(C=C(C=2C3=C(NC12)CCNC(C3)=O)C=C)Cl>O.C1CCCO1.C(C)(=O)OCC.O.O.[O-][Os](=O)(=O)[O-].[K+].[K+].C[N+]1(CCOCC1)[O-]>ClC1=C(C=C(C=2C3=C(NC12)CCNC(C3)=O)C(CO)O)Cl | 3 |
OC=1C=C(C(=O)O)C=C(C1)N1C(CCC1)=O.BrC=1C=C(C(=O)N[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2N(C[C@@H](C2)OCCC)C(=O)OC(C)(C)C)CC2=CC(=CC(=C2)F)F)C=C(C1)C(=O)OC.[Si](C)(C)(C(C)(C)C)O[C@@H]([C@H](CC1=CC(=CC(=C1)F)F)NC(C1=CC(=CC(=C1)C)C(=O)OC)=O)[C@@H]1N(C[C@@H](C1)OCCC)C(=O)OC(C)(C)C>CO[H].Cl.N(=O)[O-].[Na+]>[Si](C)(C)(C(C)(C)C)O[C@@H]([C@H](CC1=CC(=CC(=C1)F)F)NC(C1=CC(=CC(=C1)N1C(CCC1)=O)O)=O)[C@@H]1N(C[C@@H](C1)OCCC)C(=O)OC(C)(C)C | 3 |
[CH2:1]([NH:5][C:6]1[N:11]2[N:12]=[C:13]([C:23]3[CH:28]=[CH:27][C:26]([F:29])=[CH:25][CH:24]=3)[C:14]([C:15]3[CH:20]=[CH:19][N:18]=[C:17]([S:21][CH3:22])[N:16]=3)=[C:10]2[CH:9]=[CH:8][CH:7]=1)[CH2:2][CH2:3][CH3:4].ClC1C=CC=C(C(OO)=[O:38])C=1>C(Cl)(Cl)Cl.C(=O)(O)[O-].[Na+]>[CH2:1]([NH:5][C:6]1[N:11]2[N:12]=[C:13]([C:23]3[CH:24]=[CH:25][C:26]([F:29])=[CH:27][CH:28]=3)[C:14]([C:15]3[CH:20]=[CH:19][N:18]=[C:17]([S:21]([CH3:22])=[O:38])[N:16]=3)=[C:10]2[CH:9]=[CH:8][CH:7]=1)[CH2:2][CH2:3][CH3:4] | 1 |
[C:1]([C:4]1[C:9]2[S:10][C:11]([C:14]([NH:16][C:17]3[CH:26]=[CH:25][C:24]4[C:19](=[CH:20][CH:21]=[CH:22][C:23]=4[C:27]([N:29]4[CH2:32][CH:31]([O:33][CH3:34])[CH2:30]4)=[O:28])[N:18]=3)=[O:15])=[C:12]([CH3:13])[C:8]=2[C:7]([CH2:35][O:36][CH3:37])=[CH:6][CH:5]=1)(=[O:3])[CH3:2].[ClH:38]>CO>[ClH:38].[C:1]([C:4]1[C:9]2[S:10][C:11]([C:14]([NH:16][C:17]3[CH:26]=[CH:25][C:24]4[C:19](=[CH:20][CH:21]=[CH:22][C:23]=4[C:27]([N:29]4[CH2:32][CH:31]([O:33][CH3:34])[CH2:30]4)=[O:28])[N:18]=3)=[O:15])=[C:12]([CH3:13])[C:8]=2[C:7]([CH2:35][O:36][CH3:37])=[CH:6][CH:5]=1)(=[O:3])[CH3:2] | 2 |
[CH2:1]([N:3]([CH2:45][CH3:46])[CH2:4][CH2:5][N:6]1[C:14]2[CH:13]=[CH:12][C:11]([NH:15][C:16](=[O:36])[CH2:17][N:18]([CH2:26][CH2:27][O:28]CC3C=CC=CC=3)CC3C=CC=CC=3)=[C:10]3[O:37][C:38]4[CH:43]=[CH:42][C:41]([OH:44])=[CH:40][C:39]=4[C:8]([C:9]=23)=[N:7]1)[CH3:2].[H][H].[ClH:49].O>C(O)(=O)C.[OH-].[OH-].[Pd+2]>[ClH:49].[CH2:45]([N:3]([CH2:1][CH3:2])[CH2:4][CH2:5][N:6]1[C:14]2[CH:13]=[CH:12][C:11]([NH:15][C:16](=[O:36])[CH2:17][NH:18][CH2:26][CH2:27][OH:28])=[C:10]3[O:37][C:38]4[CH:43]=[CH:42][C:41]([OH:44])=[CH:40][C:39]=4[C:8]([C:9]=23)=[N:7]1)[CH3:46] | 1 |
Cl[C:2](Cl)(Cl)[C:3]1[NH:7][C:6]2[CH:8]=[CH:9][CH:10]=[CH:11][C:5]=2[N:4]=1.[NH2:14][C:15]1[CH:20]=[CH:19][C:18]([N:21]2[CH:26]=[CH:25][C:24](=[O:27])[CH:23]=[CH:22]2)=[CH:17][CH:16]=1.C([O-])(O)=[O:29].[Na+].O>C1COCC1.C(Cl)Cl>[O:27]=[C:24]1[CH:23]=[CH:22][N:21]([C:18]2[CH:19]=[CH:20][C:15]([NH:14][C:2]([C:3]3[NH:7][C:6]4[CH:8]=[CH:9][CH:10]=[CH:11][C:5]=4[N:4]=3)=[O:29])=[CH:16][CH:17]=2)[CH:26]=[CH:25]1 | 1 |
FC1=C(C=CC(=C1)[N+](=O)[O-])O.ClC1=C2C(=NC=C1)N(C(=C2)C=2C=NC=CC2)COCC[Si](C)(C)C>>FC=1C=C(C=CC1OC1=C2C(=NC=C1)N(C(=C2)C=2C=NC=CC2)COCC[Si](C)(C)C)N | 5 |
NC1=NC=CC(=C1C#CC(C)(C)N1CCN(CC1)C(=O)OC(C)(C)C)OC1=C(C=C(C=C1)NC(=O)C=1C(N(C(N(C1)C1CCOCC1)=O)C1=CC=C(C=C1)F)=O)F>ClCCl.C(=O)(C(F)(F)F)O>NC1=NC=CC(=C1C#CC(C)(N1CCNCC1)C)OC1=C(C=C(C=C1)NC(=O)C=1C(N(C(N(C1)C1CCOCC1)=O)C1=CC=C(C=C1)F)=O)F | 3 |
BrC(CCNC(=O)NC1=CC=C(C=C1)F)C>>FC1=CC=C(C=C1)N1C(NCCC1C)=O | 5 |
Cl.[Cl:2][C:3]1[C:4](CN)=[N:5][CH:6]=[CH:7][N:8]=1.[C:11]([O:15][C:16]([N:18]1[CH2:23][CH2:22][O:21][C@@H:20]([C:24]([OH:26])=O)[CH2:19]1)=[O:17])([CH3:14])([CH3:13])[CH3:12].[CH2:27]([N:29](C(C)C)C(C)C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>CN(C=O)C>[Cl:2][C:3]1[C:4]([NH:29][CH2:27][C:24]([C@@H:20]2[O:21][CH2:22][CH2:23][N:18]([C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[CH2:19]2)=[O:26])=[N:5][CH:6]=[CH:7][N:8]=1 | 2 |
[CH:1]1[CH:10]=[C:9]2[C:4]([CH:5]=[C:6]([SH:11])[CH:7]=[CH:8]2)=[CH:3][CH:2]=1.Br[CH2:13][CH:14]=[C:15]([CH3:22])[CH2:16][CH2:17][CH:18]=[C:19]([CH3:21])[CH3:20]>>[CH:5]1[C:4]2[C:9](=[CH:10][CH:1]=[CH:2][CH:3]=2)[CH:8]=[CH:7][C:6]=1[S:11][CH2:13][CH:14]=[C:15]([CH3:22])[CH2:16][CH2:17][CH:18]=[C:19]([CH3:21])[CH3:20] | 1 |
[CH2:1]([N:8]1[C@@H:12]([C:13](Cl)=O)[C@@H:11]([C:16]([O:18]C2CCCCC2)=[O:17])[N:10]([CH2:25][C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)[C:9]1=[O:32])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[BH4-].[Li+].Cl>O1CCCC1>[CH2:1]([N:8]1[C@H:12]2[CH2:13][O:17][C:16](=[O:18])[C@H:11]2[N:10]([CH2:25][C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)[C:9]1=[O:32])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
[Si](C)(C)(C(C)(C)C)OCCNC(=O)C=1N=C(SC1)N1CC(C1)OS(=O)(=O)C>>C(C)(=O)SC1CN(C1)C=1SC=C(N1)C(NCCO[Si](C)(C)C(C)(C)C)=O | 5 |
OC1CCC(C2=CC=CC=C12)C(=O)OC>ClCCl.P(Br)(Br)Br>BrC1CCC(C2=CC=CC=C12)C(=O)OC | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:16]([NH:17][CH:18]3[CH2:23][CH2:22][CH2:21][CH2:20][CH2:19]3)=[C:15]3[C:10]([CH:11]=[C:12]([F:25])[C:13]([F:24])=[CH:14]3)=[N:9]2)=[CH:4][CH:3]=1.[CH3:26][O:27][C:28](=[O:39])[C:29]1[CH:34]=[CH:33][C:32]([N:35]=[C:36]=[O:37])=[C:31]([Cl:38])[CH:30]=1.CCN(CC)CC>ClCCCl>[CH3:26][O:27][C:28](=[O:39])[C:29]1[CH:34]=[CH:33][C:32]([NH:35][C:36]([N:17]([C:16]2[N:8]([C:5]3[CH:4]=[CH:3][C:2]([Cl:1])=[CH:7][CH:6]=3)[N:9]=[C:10]3[C:15]=2[CH:14]=[C:13]([F:24])[C:12]([F:25])=[CH:11]3)[CH:18]2[CH2:23][CH2:22][CH2:21][CH2:20][CH2:19]2)=[O:37])=[C:31]([Cl:38])[CH:30]=1 | 1 |
C(C)(C)(C)O.C(C)OC(CCCCC1=C(C=2N(N=C1C)C(=CC2)CC)C=2C=NC=C(C(=O)O)C2)=O>>C(C)(C)(C)OC(=O)NC=1C=C(C=NC1)C=1C=2N(N=C(C1CCCCC(=O)OCC)C)C(=CC2)CC | 5 |
Br[C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH2:9][CH2:10][O:11][Si:12]([C:15]([CH3:18])([CH3:17])[CH3:16])([CH3:14])[CH3:13])=[CH:4][CH:3]=1.B1(B2OC(C)(C)C(C)(C)O2)OC(C)(C)C(C)(C)O1.CC([O-])=O.[K+].C([O-])([O-])=O.[Na+].[Na+].[NH2:48][C:49]1[C:50]([C:56]([NH:58][C:59]2[CH:60]=[N:61][CH:62]=[CH:63][CH:64]=2)=[O:57])=[N:51][C:52](Br)=[CH:53][N:54]=1>O1CCOCC1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2].O>[NH2:48][C:49]1[C:50]([C:56]([NH:58][C:59]2[CH:60]=[N:61][CH:62]=[CH:63][CH:64]=2)=[O:57])=[N:51][C:52]([C:2]2[CH:7]=[CH:6][C:5]([CH2:8][CH2:9][CH2:10][O:11][Si:12]([C:15]([CH3:18])([CH3:17])[CH3:16])([CH3:14])[CH3:13])=[CH:4][CH:3]=2)=[CH:53][N:54]=1 | 1 |
C(=O)(O)C1=CC=C(C=O)C=C1.FC(C(=O)O)(F)F.NCC(=O)N1CCN(CC1)C(C1=C(C=CC=C1)C(F)(F)F)=O>>C(=O)C1=CC=C(C(=O)NCC(N2CCN(CC2)C(C2=C(C=CC=C2)C(F)(F)F)=O)=O)C=C1 | 5 |
C(C1=CC=2OCOC2C=C1)N.NC1=NC2=C(C=3N1N=C(N3)C=3OC=CC3)C=NN2C(C(=O)O)(C)C2=CC=CC=C2>C1CCCO1.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=CC3=C(OCO3)C=C2)(C)C2=CC=CC=C2 | 3 |
[N+:1]([CH2:4][CH2:5][C:6]([C:8]1[CH:13]=[CH:12][C:11]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])=[CH:10][CH:9]=1)=[O:7])([O-:3])=[O:2].CO.[BH4-].[Na+]>O.C(OCC)(=O)C>[N+:1]([CH2:4][CH2:5][CH:6]([C:8]1[CH:9]=[CH:10][C:11]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])=[CH:12][CH:13]=1)[OH:7])([O-:3])=[O:2] | 1 |
Cl[Si](C)(C)C.[O:6]=[C:7]1[N:12]2[CH:13]=[C:14]([C:17]([OH:19])=[O:18])[CH:15]=[CH:16][C:11]2=[N:10][C:9]2[CH2:20][S:21][CH2:22][C:8]1=2.[Cl:23]N1C(=O)CCC1=O>N1C=CC=CC=1.O>[Cl:23][C:20]1[S:21][CH:22]=[C:8]2[C:7](=[O:6])[N:12]3[CH:13]=[C:14]([C:17]([OH:19])=[O:18])[CH:15]=[CH:16][C:11]3=[N:10][C:9]=12 | 1 |
[CH3:1][O:2][CH:3]([O:26][CH3:27])[CH:4]([N:6]1[C:10]([NH2:11])=[CH:9][C:8]([C:12]2[CH:13]=[N:14][N:15]([CH2:17][C:18]3[CH:23]=[CH:22][C:21]([O:24][CH3:25])=[CH:20][CH:19]=3)[CH:16]=2)=[N:7]1)[CH3:5].Br[C:29]1[CH:34]=[C:33]([N+:35]([O-:37])=[O:36])[CH:32]=[CH:31][C:30]=1[CH3:38].CC1(C)C2C(=C(P(C3C=CC=CC=3)C3C=CC=CC=3)C=CC=2)OC2C(P(C3C=CC=CC=3)C3C=CC=CC=3)=CC=CC1=2.C(=O)([O-])[O-].[Cs+].[Cs+]>O1CCOCC1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[CH3:27][O:26][CH:3]([O:2][CH3:1])[CH:4]([N:6]1[C:10]([NH:11][C:29]2[CH:34]=[C:33]([N+:35]([O-:37])=[O:36])[CH:32]=[CH:31][C:30]=2[CH3:38])=[CH:9][C:8]([C:12]2[CH:13]=[N:14][N:15]([CH2:17][C:18]3[CH:19]=[CH:20][C:21]([O:24][CH3:25])=[CH:22][CH:23]=3)[CH:16]=2)=[N:7]1)[CH3:5] | 1 |
[Cl:1][C:2]1[CH:3]=[N:4][CH:5]=[C:6]([Cl:11])[C:7]=1[C@@H:8]([OH:10])[CH3:9].C(N(CC)CC)C.[CH3:19][S:20](Cl)(=[O:22])=[O:21]>ClCCl>[CH3:19][S:20]([O:10][C@H:8]([C:7]1[C:2]([Cl:1])=[CH:3][N:4]=[CH:5][C:6]=1[Cl:11])[CH3:9])(=[O:22])=[O:21] | 1 |
FC1(CC(C1)C(=O)O)F.C(C1=CC=CC=C1)OC[C@@H]1OCC[C@@H](C1)NC=1C=NC2=CC=C(C=C2C1N)Cl>O.c1ccncc1.CCN=C=NCCCN(C)C>C(C1=CC=CC=C1)OC[C@@H]1OCC[C@@H](C1)NC1=C(C=NC2=CC=C(C=C12)Cl)NC(=O)C1CC(C1)(F)F | 3 |
C1OCCC2=C1C=CC(=C2)NC(OCC2=CC=CC=C2)=O.C(C)(=O)O[C@@H](CNC(C)=O)CCl>>C1OCCC2=C1C=CC(=C2)N2C(O[C@H](C2)CNC(C)=O)=O | 5 |
[NH2:1][CH:2]1[CH2:7][CH2:6][CH:5]([O:8][C:9](=[O:11])[CH3:10])[CH2:4][CH:3]1[C:12]1[CH:17]=[CH:16][C:15]([O:18][CH3:19])=[C:14]([O:20][CH3:21])[CH:13]=1.[CH2:22]([O:26][C:27]1[CH:35]=[CH:34][C:30]([C:31](O)=[O:32])=[CH:29][CH:28]=1)[CH2:23][CH2:24][CH3:25].Cl.C(N=C=NCCCN(C)C)C.O>CN(C)C1C=CN=CC=1.ClCCl>[CH2:22]([O:26][C:27]1[CH:28]=[CH:29][C:30]([C:31]([NH:1][CH:2]2[CH2:7][CH2:6][CH:5]([O:8][C:9](=[O:11])[CH3:10])[CH2:4][CH:3]2[C:12]2[CH:17]=[CH:16][C:15]([O:18][CH3:19])=[C:14]([O:20][CH3:21])[CH:13]=2)=[O:32])=[CH:34][CH:35]=1)[CH2:23][CH2:24][CH3:25] | 1 |
C(C)(C)(C)OC(=O)C=1SC(=CC1)C=CC(=O)OCC>>C(C)(C)(C)OC(=O)C=1SC(=CC1)CCC(=O)OCC | 5 |
C(C)(=O)[O-].O=C1NC[C@@H]1[NH3+].C1(CCCCC1)CCCCOC(=O)N1C(C=CC=C1)=O>ClCCl.C(C)(C)N(C(C)C)CC>C1(CCCCC1)CCCCOC(N[C@@H]1C(NC1)=O)=O | 3 |
ClC(C(=O)O)(Cl)Cl.C(C)C1=C2CCC(C2=CC=C1)=O>[N-]=[N+]=[N-].[Na+]>C(C)C1=C2CCNC(C2=CC=C1)=O | 3 |
C(C)(C)(C)CC(=O)Cl.Cl.C(C)(C)(C)C1=CC=C(C=C1)C1C(OC2=C1C(=C(C(=C2C)C)N)C)(C)C>ClCCl.CCN(CC)CC>C(C)(C)(C)C1=CC=C(C=C1)C1C(OC2=C1C(=C(C(=C2C)C)NC(CC(C)(C)C)=O)C)(C)C | 3 |
O.[OH-].[Li+].C[O:5][C:6](=[O:30])[C:7]1[CH:12]=[CH:11][C:10]([CH2:13][CH2:14][C:15]([N:17]2[CH2:22][CH2:21][N:20]([CH2:23][CH2:24][C:25]([CH3:28])([CH3:27])[CH3:26])[CH2:19][CH2:18]2)=[O:16])=[C:9]([CH3:29])[CH:8]=1>C1COCC1.O>[CH3:26][C:25]([CH3:28])([CH3:27])[CH2:24][CH2:23][N:20]1[CH2:21][CH2:22][N:17]([C:15](=[O:16])[CH2:14][CH2:13][C:10]2[CH:11]=[CH:12][C:7]([C:6]([OH:30])=[O:5])=[CH:8][C:9]=2[CH3:29])[CH2:18][CH2:19]1 | 1 |
C(C)OC(=O)C1=CC=C(C=C1)C1=C(N=C2N1N=CC=C2N2CCOCC2)C2CN(C2)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.N1CC(C1)C=1C=C2N(N=CC=C2N2CCOCC2)C1C1=CC=C(C(=O)OCC)C=C1 | 3 |
C(C1=CC=CC=C1)NCC1=CC=CC=C1.O[C@H](CN1CCC(CC1)C(=O)[O-])COC1=C2C=CC=NC2=CC=C1.[Li+]>ClCCl.C(C)(C)N(C(C)C)CC.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=C5)N=N4.F[P-](F)(F)(F)(F)F>C(C1=CC=CC=C1)N(C(=O)C1CCN(CC1)C[C@H](COC1=C2C=CC=NC2=CC=C1)O)CC1=CC=CC=C1 | 3 |
[C:1]12([C:11]3[O:15][C:14]([NH:16][C:17]4[C:26]5[CH2:25][C:24]([O:27]CC)=[CH:23][CH2:22][C:21]=5[CH:20]=[CH:19][CH:18]=4)=[N:13][CH:12]=3)[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2.C(OC1CC2C(NC3OC(C4C=CC(C(F)(F)F)=CC=4)=CN=3)=CC=CC=2CC=1)C>>[C:1]12([C:11]3[O:15][C:14]([NH:16][C:17]4[CH:18]=[CH:19][CH:20]=[C:21]5[C:26]=4[CH2:25][C:24](=[O:27])[CH2:23][CH2:22]5)=[N:13][CH:12]=3)[CH2:10][CH:5]3[CH2:4][CH:3]([CH2:9][CH:7]([CH2:6]3)[CH2:8]1)[CH2:2]2 | 1 |
C1(CCCC1)C=C(C1=CC=2C(=NC=CC2)N1)C1=CC=C(C=C1)C(C)=O>>C1(CCCC1)CC(C1=CC=2C(=NC=CC2)N1)C1=CC=C(C=C1)C(C)O | 5 |
CC(=CCC/C(=C/C(=O)OC)/C1=CC=CC=C1)C>C1(=CC=CC=C1)C.CC(C)C[AlH]CC(C)C>CC(=CCC/C(=C/CO)/C1=CC=CC=C1)C | 3 |
BrC1=CC(=C(C=C1)N1C(=NC(=C1)C(=O)OCC)CC)OC>C1CCCO1.C(CCC)[Li].C(C)(C)NC(C)C.N([S](=O)(=O)C1=CC=CC=C1)([S](=O)(=O)C2=CC=CC=C2)F.C(C)(=O)O.CCCCCC.C(C)(C)[N-]C(C)C.[Li+].C(O)([O-])=O.[Na+]>BrC1=CC(=C(C=C1)N1C(=NC(=C1F)C(=O)OCC)CC)OC | 3 |
CC(COC1=NC(=C2N=CN(C2=N1)C1OCCCC1)N)(CCC)C>C(Cl)(Cl)(Cl)[H].ClCCl.BrN1C(CCC1=O)=O>BrC=1N(C2=NC(=NC(=C2N1)N)OCC(CCC)(C)C)C1OCCCC1 | 3 |
FC1(CC(OC(C1)(C)C)CO)F>O.ClCCl.Cl[O-].[Na+].CC1(N(C(CCC1)(C)C)[O])C.C(O)([O-])=O.[Na+].[K+].[Br-].C>FC1(CC(OC(C1)(C)C)C=O)F | 3 |
C(C)(C)(C)OC(=O)N1C(CCC1)C1=NC2=C(N1)C=C(C=C2)Br.C(C)(C)(C)OC(=O)N1C(CCC1)C1=NC2=C(N1)C=C(C=C2)C2=CC=C(C=C2)B2OC(C(O2)(C)C)(C)C>C([O-])([O-])=O.[K+].[K+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(C)(C)(C)OC(=O)N1C(CCC1)C1=NC2=C(N1)C=C(C=C2)C2=CC=C(C=C2)C2=CC1=C(N=C(N1)C1N(CCC1)C(NC(C)(C)C)=O)C=C2 | 3 |
NC1=CC=C(C=C1)N1N=CC=C1.ClC1=NC=2N(C(=C1)N(C(OC(C)(C)C)=O)C1CC1)N=C(C2C=O)C>>N1(N=CC=C1)C1=CC=C(C=C1)NC1=NC=2N(C(=C1)NC1CC1)N=C(C2C=O)C | 5 |
[OH:1][CH:2]1[C:10]2[CH:9]=[CH:8][S:7][C:6]=2[CH2:5][CH2:4][CH2:3]1.[O:11]1[CH:16]=[CH:15][CH2:14][CH2:13][CH2:12]1.[NH+]1C=CC=CC=1.C1(C)C=CC(S([O-])(=O)=O)=CC=1>C(Cl)Cl>[O:11]1[CH2:16][CH2:15][CH2:14][CH2:13][CH:12]1[O:1][CH:2]1[C:10]2[CH:9]=[CH:8][S:7][C:6]=2[CH2:5][CH2:4][CH2:3]1 | 1 |
C(C)I.C1(=CC=CC=C1)S(=O)(=O)N1C=CC=2C1=CN=CC2Br>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+]>C1(=CC=CC=C1)S(=O)(=O)N1C(=CC=2C1=CN=CC2Br)CC | 3 |
FC1=CC(=C(C=C1)C=1SC=C(N1)C)[N+](=O)[O-]>>FC=1C=CC(=C(N)C1)C=1SC=C(N1)C | 5 |
COC(NC1CCN(CC1)C1=CC(=CC=C1)Br)=O>>CC1(OB(OC1(C)C)C=1C=C(C=CC1)N1CCC(CC1)NC(OC)=O)C | 5 |
[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH:3]([C:10]([OH:12])=[O:11])[CH2:2]1.O.CCN(C(C)C)C(C)C.[CH3:23][CH:24]([CH3:30])[CH2:25][S:26](Cl)(=[O:28])=[O:27]>CN(C=O)C>[CH2:25]([S:26]([N:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH:3]([C:10]([OH:12])=[O:11])[CH2:2]1)(=[O:28])=[O:27])[CH:24]([CH3:30])[CH3:23] | 2 |
O[CH2:2][C@H:3]1[N:8]([CH2:9][CH:10]([OH:21])[C:11]2[CH:20]=[CH:19][C:14]3[C:15](=[O:18])[O:16][CH2:17][C:13]=3[CH:12]=2)[CH2:7][CH2:6][N:5]([C:22]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23])[CH2:4]1.C(C=P(CCCC)(CCCC)CCCC)#N>C1C=CC=CC=1>[O:18]=[C:15]1[C:14]2[CH:19]=[CH:20][C:11]([CH:10]3[O:21][CH2:2][C@@H:3]4[CH2:4][N:5]([C:22]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:23])[CH2:6][CH2:7][N:8]4[CH2:9]3)=[CH:12][C:13]=2[CH2:17][O:16]1 | 1 |
Cl[C:2]1[C:3]2[C:10]([F:11])=[CH:9][NH:8][C:4]=2[N:5]=[CH:6][N:7]=1.[NH2:12][C:13]1[C:22]([O:23][CH3:24])=[CH:21][C:16]2[NH:17][C:18](=[O:20])[S:19][C:15]=2[CH:14]=1>>[F:11][C:10]1[C:3]2[C:2]([NH:12][C:13]3[C:22]([O:23][CH3:24])=[CH:21][C:16]4[NH:17][C:18](=[O:20])[S:19][C:15]=4[CH:14]=3)=[N:7][CH:6]=[N:5][C:4]=2[NH:8][CH:9]=1 | 1 |
CS(=O)(=O)C=1C=C2CCN(C2=CC1)C1=CC(=NC=N1)OC1CCN(CC1)C(=O)OC(C)(C)C>N([S](=O)(=O)C1=CC=CC=C1)([S](=O)(=O)C2=CC=CC=C2)F.ClCCCl>C(C)(C)(C)OC(=O)N1CCC(CC1)OC1=NC=NC(=C1F)N1CCC2=CC(=CC=C12)S(=O)(=O)C | 3 |
C(C)OC(=O)C1CCN(CC1)C1=NC=C(C=C1)C(C)=O>O.C1CCCO1.CO[H].O[Li].O>C(C)(=O)C=1C=CC(=NC1)N1CCC(CC1)C(=O)O | 3 |
NCCOC1=C(NC(C2=CC=CC=C12)=O)C1=CC=CC=C1>ClCCl.CCN(CC)CC.C(C)(=O)Cl>O=C1NC(=C(C2=CC=CC=C12)OCCCNC(C)=O)C1=CC=CC=C1 | 3 |
O1CCCCC1[N:7]1[CH:15]=[C:14]2[C:9]([CH:10]=[CH:11][CH:12]=[C:13]2B2OC(C)(C)C(C)(C)O2)=[N:8]1.[Cl:25]C1C(C)=C(C=CC=1)N.C([O-])(=O)C.[K+].C(OC(=O)C)(=O)C.N(OCCC(C)C)=O>>[Cl:25][C:13]1[CH:12]=[CH:11][CH:10]=[C:9]2[C:14]=1[CH:15]=[N:7][NH:8]2 | 1 |
C(C)(C)(C)OC(=O)N1CC(N(CC1)CC=1N(C2=C(N1)C=CC(=C2)C(=O)OC)C[C@H]2OCC2)=O>ClCCl.C(=O)(C(F)(F)F)O>O1[C@@H](CC1)CN1C(=NC2=C1C=C(C=C2)C(=O)OC)CN2C(CNCC2)=O | 3 |
[CH:1]([C:4]1[S:13][C:12]2[NH:11][C:10]3[CH:14]=[CH:15][CH:16]=[CH:17][C:9]=3[N:8]=[C:7]([NH2:18])[C:6]=2[N:5]=1)([CH3:3])[CH3:2].[CH2:19]([C@H:27]1[CH2:32]N[CH2:30][CH2:29][NH:28]1)[CH2:20][C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1>>[CH:1]([C:4]1[S:13][C:12]2[NH:11][C:10]3[CH:14]=[CH:15][CH:16]=[CH:17][C:9]=3[N:8]=[C:7]([N:18]3[CH2:30][CH2:29][NH:28][C@@H:27]([CH2:19][CH2:20][C:21]4[CH:22]=[CH:23][CH:24]=[CH:25][CH:26]=4)[CH2:32]3)[C:6]=2[N:5]=1)([CH3:3])[CH3:2] | 1 |
CC=1C=C(C=CC1)C(CC1=CC(=NC=C1)C)=O>>Br.BrC(C(=O)C1=CC(=CC=C1)C)C1=CC(=NC=C1)C | 5 |
[C:1]1([CH:7]([O:14][C:15]([C:17]2[N:22]3[C:23](=[O:36])[C@@H:24]([NH:25][C:26](=[O:35])[CH2:27][O:28][C:29]4[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=4)[C@H:21]3[S:20][CH2:19][C:18]=2[OH:37])=[O:16])[C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:38][S:39](Cl)(=[O:41])=[O:40].C(N(CC)CC)C>C(Cl)Cl>[C:1]1([CH:7]([O:14][C:15]([CH:17]2[N:22]3[C:23](=[O:36])[C@@H:24]([NH:25][C:26](=[O:35])[CH2:27][O:28][C:29]4[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=4)[C@H:21]3[S:20][CH:19]=[C:18]2[O:37][S:39]([CH3:38])(=[O:41])=[O:40])=[O:16])[C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
O=CC(=O)OCC.C(C1=CC=CC=C1)N1C(C2=C(C=C(C(=C2CC1)C)O)C)=O.C(C1=CC=CC=C1)N1C(C2=C(C(=CC(=C2CC1)C)O)C)=O>ClCCl.Cl.[Ti](Cl)(Cl)(Cl)Cl>C(C1=CC=CC=C1)N1C(C2=C(C(=C(C(=C2CC1)C)O)C(C(=O)OCC)O)C)=O | 3 |
CS(=O)(=O)Cl.OCC1=NC=CC=C1>ClCCl.CCN(CC)CC>CS(=O)(=O)CC1=NC=CC=C1 | 3 |
C(=O)(OC(C)(C)C)N1CCNCC1.ClC=1N=NC(=CC1)I>C(C)(C)N(C(C)C)CC.CC(C)(C)O>IC1=CC=C(N=N1)N1CCN(CC1)C(=O)OC(C)(C)C | 3 |
FC=1C=CC(=C(C1)C1=CC=[N+](C=C1)[O-])C(F)(F)F>CC#N.CCN(CC)CC.C[Si](C)(C)C#N>FC=1C=CC(=C(C1)C1=CC(=NC=C1)C#N)C(F)(F)F | 3 |
C(C)(C)(C)OC(NC1CN(C1)C=1C=C2C(N(C(C2=CC1)=O)C1C(NC(CC1)=O)=O)=O)=O>ClCCl.C(=O)(C(F)(F)F)O>NC1CN(C1)C=1C=C2C(N(C(C2=CC1)=O)C1C(NC(CC1)=O)=O)=O | 3 |
C(OC(=O)[NH:7][C:8]1([C:12]2[CH:17]=[CH:16][C:15]([C:18]3[C:27]([C:28]4[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=4)=[CH:26][C:25]4[C:24]5=[N:34][NH:35][C:36]([NH:37][CH3:38])=[C:23]5[CH2:22][CH2:21][C:20]=4[N:19]=3)=[CH:14][CH:13]=2)[CH2:11][CH2:10][CH2:9]1)(C)(C)C>C(O)(C(F)(F)F)=O>[NH2:7][C:8]1([C:12]2[CH:13]=[CH:14][C:15]([C:18]3[C:27]([C:28]4[CH:29]=[CH:30][CH:31]=[CH:32][CH:33]=4)=[CH:26][C:25]4[C:24]5=[N:34][NH:35][C:36]([NH:37][CH3:38])=[C:23]5[CH2:22][CH2:21][C:20]=4[N:19]=3)=[CH:16][CH:17]=2)[CH2:11][CH2:10][CH2:9]1 | 1 |
[CH3:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][C:10]=1[N+:11]([O-:13])=[O:12])[NH:7][CH2:6][CH2:5]2>O1CCOCC1>[CH3:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][C:10]=1[N+:11]([O-:13])=[O:12])[NH:7][CH:6]=[CH:5]2 | 1 |
ClC1=C(C(=O)OC)C=C(C=C1NS(=O)(=O)C(F)(F)F)Cl>>Cl.ClC1=C(C(=O)O)C=C(C=C1NS(=O)(=O)C(F)(F)F)Cl | 5 |
[CH2:1]1[C:13]2[C:12]3[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=3[NH:6][C:5]=2[CH2:4][CH2:3][NH:2]1.Br.[N:15]1[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=1CCCBr.N1C=CC=[CH:27][C:26]=1[CH2:31]CCCBr.C1(N)C(F)=C(F)C(F)=C(N)C=1F.Cl.Cl>>[N:15]1[CH:16]=[CH:17][CH:18]=[C:19]([CH2:27][CH2:26][CH2:31][N:2]2[CH2:3][CH2:4][C:5]3[NH:6][C:7]4[CH:8]=[CH:9][CH:10]=[CH:11][C:12]=4[C:13]=3[CH2:1]2)[CH:20]=1 | 1 |
C[C@@H]1CC[C@H](CC1)CN1C(=NC2=NC(=NC(=C12)C=1C=C(C=CC1)C)C(=O)O)N1CCOCC1>N(C)(C)C=O.C1CCCO1.ClCCl.C(C(=O)Cl)(=O)Cl.NN>C[C@@H]1CC[C@H](CC1)CN1C(=NC2=NC(=NC(=C12)C=1C=C(C=CC1)C)C(=O)NN)N1CCOCC1 | 3 |
Cl.ClC=1C=C(CN2C(C=3N(C=C2)C=C(C(C3O)=O)NCC(C)C)=O)C=CC1>>ClC=1C=C(CN2C(C=3N(C=C2)C=C(C(C3O)=O)N(C(C)=O)CC(C)C)=O)C=CC1 | 5 |
[F:1][C:2]1[CH:3]=[C:4]([C:10](=[O:12])[CH3:11])[CH:5]=[CH:6][C:7]=1[S:8][CH3:9].[Br:13]Br.C(OCC)(=O)C>C(O)(=O)C.Br>[Br:13][CH2:11][C:10]([C:4]1[CH:5]=[CH:6][C:7]([S:8][CH3:9])=[C:2]([F:1])[CH:3]=1)=[O:12] | 2 |
C(C)(=O)OC1=C(C=C(C=C1OC)C=1N=C(SC1)CN(C)C(=O)OC(C)(C)C)OC>CO[H].[OH-].[Na+]>OC1=C(C=C(C=C1OC)C=1N=C(SC1)CN(C(OC(C)(C)C)=O)C)OC | 3 |
[CH3:1][O:2][N:3]=[C:4]1[C:12]2[C:7](=[CH:8][C:9]([C:13]3[CH:17]=[CH:16][O:15][C:14]=3[C:18](=O)/[CH:19]=[CH:20]/N(C)C)=[CH:10][CH:11]=2)[CH2:6][CH2:5]1.C(=O)(O)O.[NH2:29][C:30]([NH2:32])=[NH:31].[OH-].[Na+]>O1CCOCC1.O>[CH3:1][O:2][N:3]=[C:4]1[C:12]2[C:7](=[CH:8][C:9]([C:13]3[CH:17]=[CH:16][O:15][C:14]=3[C:18]3[CH:19]=[CH:20][N:29]=[C:30]([NH2:32])[N:31]=3)=[CH:10][CH:11]=2)[CH2:6][CH2:5]1 | 1 |
[CH:1]1([NH2:4])[CH2:3][CH2:2]1.[O-2].[Ca+2].Cl[C:8]1[N:24]=[CH:23][CH:22]=[CH:21][C:9]=1[C:10]([NH:12][C:13]1[C:14]([Cl:20])=[N:15][CH:16]=[CH:17][C:18]=1[CH3:19])=[O:11]>C1(C)C(C)=CC=CC=1.C(OCC)(=O)C>[Cl:20][C:14]1[C:13]([NH:12][C:10](=[O:11])[C:9]2[CH:21]=[CH:22][CH:23]=[N:24][C:8]=2[NH:4][CH:1]2[CH2:3][CH2:2]2)=[C:18]([CH3:19])[CH:17]=[CH:16][N:15]=1 | 2 |
[N+:1]([C:4]1[CH:17]=[CH:16][C:7]2[NH:8][C:9](=[O:15])[C:10]3([O:14][C:6]=2[CH:5]=1)[CH2:13][CH2:12][CH2:11]3)([O-:3])=[O:2].C(=O)([O-])[O-].[K+].[K+].I[CH2:25][CH3:26].O>CN(C=O)C>[CH2:25]([N:8]1[C:7]2[CH:16]=[CH:17][C:4]([N+:1]([O-:3])=[O:2])=[CH:5][C:6]=2[O:14][C:10]2([CH2:13][CH2:12][CH2:11]2)[C:9]1=[O:15])[CH3:26] | 2 |
FC1=CC=C(C=C1)N1C([C@@H]([C@H]1C1=CC=C(C=C1)O)CC[C@H](O)C1=CC=C(C=C1)F)=O>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC.C1=CC=C(C=C1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F>FC(S(=O)(=O)OC1=CC=C(C=C1)[C@H]1N(C([C@@H]1CC[C@H](O)C1=CC=C(C=C1)F)=O)C1=CC=C(C=C1)F)(F)F | 3 |
[K].[CH2:2]([C:17]1[CH:18]=[C:19]([OH:23])[CH:20]=[CH:21][CH:22]=1)[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][CH3:16].Br[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1.CN(C)C(=O)C>O>[CH2:2]([C:17]1[CH:22]=[CH:21][CH:20]=[C:19]([O:23][C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)[CH:18]=1)[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][CH3:16] | 1 |
FC1(C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)OC)CF>C1CCCO1.[OH-].[Li+]>C(C)(C)(C)OC(=O)N1[C@@H](CC(C1)(CF)F)C(=O)O | 3 |
[Cl:1][C:2]1[C:3]([C:26]([F:29])([F:28])[F:27])=[CH:4][C:5](I)=[C:6]([NH:8][C:9]([NH:11][CH:12]2[CH2:17][CH2:16][N:15]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:14][CH2:13]2)=[O:10])[CH:7]=1>[Cl-].[Cl-].C1(P(C2C=CC=CC=2)[C-]2C=CC=C2)C=CC=CC=1.[C-]1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=C1.[Fe+2].[Pd+2].O1CCOCC1>[Cl:1][C:2]1[C:3]([C:26]([F:29])([F:28])[F:27])=[CH:4][C:5]2[N:11]([CH:12]3[CH2:17][CH2:16][N:15]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:14][CH2:13]3)[C:9](=[O:10])[NH:8][C:6]=2[CH:7]=1 | 1 |
C1(CC1)CO.BrC=1C=C(C=NC1)NC(C1=CC(=NC=C1)NC1=NC(=CC=C1)C(F)(F)F)=O>[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.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].C(C)(C)(C)P(C1=C(C(=CC=C1OC)C)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)C(C)(C)C>C1(CC1)COC=1C=C(C=NC1)NC(C1=CC(=NC=C1)NC1=NC(=CC=C1)C(F)(F)F)=O | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:12]([C:13]2[CH:18]=[CH:17][C:16]([OH:19])=[CH:15][CH:14]=2)=[CH:11][C:10]([C:20]([F:23])([F:22])[F:21])=[N:9]1.C([O-])([O-])=O.[Cs+].[Cs+].Cl[C:31]1[N:36]=[CH:35][CH:34]=[CH:33][N:32]=1>C(#N)C>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:12]([C:13]2[CH:14]=[CH:15][C:16]([O:19][C:31]3[N:36]=[CH:35][CH:34]=[CH:33][N:32]=3)=[CH:17][CH:18]=2)=[CH:11][C:10]([C:20]([F:23])([F:21])[F:22])=[N:9]1 | 1 |
COC(C1=C(C=CC(=C1)C#C[Si](C)(C)C)OC(C)C)=O>>C(#C)C=1C=CC(=C(C(=O)O)C1)OC(C)C | 5 |
O=C(CNC(=O)C1=CC=C(C=C1)C1=CC=CC=C1)N1CCNCC1.FC=1C=CC(=C(C(=O)O)C1)C(F)(F)F>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>FC=1C=CC(=C(C(=O)N2CCN(CC2)C(CNC(=O)C2=CC=C(C=C2)C2=CC=CC=C2)=O)C1)C(F)(F)F | 3 |
C([O:4][C:5]1[CH:14]=[CH:13][C:12]2[C:7](=[CH:8][CH:9]=[C:10]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[CH:11]=2)[C:6]=1[C:27]([NH2:29])=[O:28])(=O)C.[OH-].[Na+].Cl>CO.O>[OH:4][C:5]1[CH:14]=[CH:13][C:12]2[C:7](=[CH:8][CH:9]=[C:10]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[CH:11]=2)[C:6]=1[C:27]([NH2:29])=[O:28] | 1 |
BrC1C(=O)NC(C1)=O.C(C)(=O)C=1N2C=CC=C2C=C(C1C)C(=O)OCC>C1CCCO1>C(C)(=O)C=1N2C=CC(=C2C=C(C1C)C(=O)OCC)Br | 3 |
[F:1][C:2]1[C:11]2[O:10][CH2:9][CH:8]([NH:12][CH2:13][CH2:14][CH2:15][C:16]3[C:24]4[C:19](=[CH:20][CH:21]=[C:22]([F:25])[CH:23]=4)[NH:18][CH:17]=3)[CH2:7][C:6]=2[C:5]([C:26]([NH2:28])=[O:27])=[CH:4][CH:3]=1.[C:29]1(=O)[CH2:32][CH2:31][CH2:30]1.C(O)(=O)C.C([BH3-])#N.[Na+]>CO.C(Cl)Cl.O>[CH:29]1([N:12]([CH2:13][CH2:14][CH2:15][C:16]2[C:24]3[C:19](=[CH:20][CH:21]=[C:22]([F:25])[CH:23]=3)[NH:18][CH:17]=2)[CH:8]2[CH2:7][C:6]3[C:5]([C:26]([NH2:28])=[O:27])=[CH:4][CH:3]=[C:2]([F:1])[C:11]=3[O:10][CH2:9]2)[CH2:32][CH2:31][CH2:30]1 | 2 |
C(C1=CC=CC=C1)OC1=CC(=C2CC(CC2=C1)C(=O)OCC)F.C(C1=CC=CC=C1)OC=1C(=C2CC(CC2=CC1)C(=O)OCC)F.C(C1=CC=CC=C1)OC=1C=CC(=C2CC(CC12)C(=O)OCC)F>O.C1CCCO1.C(C)(=O)OCC.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C(C1=CC=CC=C1)OC1=CC(=C2CC(CC2=C1)CO)F | 3 |
C(C)(C)(C)SSC(COC=1C=C(C(=O)OCC)C=CC1)OCCO>C1CCCO1.CO[H].Cl.[OH-].[Na+]>C(C)(C)(C)SSC(COC=1C=C(C(=O)O)C=CC1)OCCO | 3 |
CN(S(=O)=O)C.NCC(CNC(OC(C)(C)C)=O)C.BrC1=NC=C(N=C1)N1C(CCC1)=O>[Cu]I.O.C(C)(=O)OCC.N1[C@H](C(=O)O)CCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C(C)(C)(C)OC(NCC(CNC1=NC=C(N=C1)N1C(CCC1)=O)C)=O | 3 |
FC=1C=C(C=CC1)B(O)O.ClC1=CC=C(C(=N1)C=1C=NN(C1)C)OC1=C(C=C(C=C1)S(=O)(=O)NC=1SC=CN1)C#N>N(C)(C)C=O.O.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(#N)C=1C=C(C=CC1OC=1C(=NC(=CC1)C1=CC(=CC=C1)F)C=1C=NN(C1)C)S(=O)(=O)NC=1SC=CN1 | 3 |
NC=1C(=C(C(=O)O)C=CC1N)OC.ClC1=CC=CC=2SC(=C(C21)C=O)C(=O)OCC>N(C)(C)C=O.O.II.S([O-])(O)=O.[Na+]>ClC1=CC=CC=2SC(=C(C21)C2=NC1=C(N2)C(=C(C=C1)C(=O)O)OC)C(=O)OCC | 3 |
[CH3:1][S:2]([O:5][C:6]1[CH:7]=[CH:8][C:9]2[O:13][CH:12]([OH:14])[C:11]([CH3:16])([CH3:15])[C:10]=2[CH:17]=1)(=[O:4])=[O:3].O>C(O)(=O)C>[CH3:1][S:2]([O:5][C:6]1[CH:7]=[CH:8][C:9]2[O:13][C:12](=[O:14])[C:11]([CH3:15])([CH3:16])[C:10]=2[CH:17]=1)(=[O:3])=[O:4] | 1 |
O1CCCC(C2=C1C=CC=C2)=O>S(O)(O)(=O)=O.[N+](=O)([O-])[O-].[Na+]>[N+](=O)([O-])C=1C=CC2=C(C(CCCO2)=O)C1 | 3 |
C(=O)([O-])[O-].[K+].[K+].[P:7](Cl)([O:11][CH3:12])([O:9][CH3:10])=[S:8].[C:14]([C:16]1[S:17][C:18]([O:22][CH2:23][CH2:24][CH2:25][CH3:26])=[CH:19][C:20]=1[OH:21])#[N:15]>C(#N)C>[C:14]([C:16]1[S:17][C:18]([O:22][CH2:23][CH2:24][CH2:25][CH3:26])=[CH:19][C:20]=1[O:21][P:7]([O:11][CH3:12])([O:9][CH3:10])=[S:8])#[N:15] | 1 |
[CH3:1][O:2][C:3](=[O:15])[C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([NH:10][C:11](=[O:14])[CH2:12]Br)[CH:5]=1.[CH:16]([C:19]1[CH:24]=[CH:23][C:22]([OH:25])=[CH:21][C:20]=1[CH3:26])([CH3:18])[CH3:17].C(=O)([O-])[O-].[K+].[K+]>CC(=O)CC>[CH:16]([C:19]1[CH:24]=[CH:23][C:22]([O:25][CH2:12][C:11]([NH:10][C:6]2[CH:5]=[C:4]([CH:9]=[CH:8][CH:7]=2)[C:3]([O:2][CH3:1])=[O:15])=[O:14])=[CH:21][C:20]=1[CH3:26])([CH3:18])[CH3:17] | 1 |
ClC1=C(C(=O)O)C=CC(=C1)C1=NN=NN1C>>ClC1=C(C(=O)Cl)C=CC(=C1)C1=NN=NN1C | 5 |
[CH:1]([C:3]1[NH:4][C:5]2[CH2:6][CH2:7][CH2:8][CH2:9][C:10]=2[C:11]=1[CH2:12][CH2:13][C:14]([OH:16])=[O:15])=O.[Cl:17][C:18]1[CH:19]=[C:20]2[C:24](=[CH:25][CH:26]=1)[NH:23][C:22](=[O:27])[CH2:21]2.N1CCCCC1.N1CCCC1>C(O)C.C(O)(=O)C>[Cl:17][C:18]1[CH:19]=[C:20]2[C:24](=[CH:25][CH:26]=1)[NH:23][C:22](=[O:27])[C:21]2=[CH:1][C:3]1[NH:4][C:5]2[CH2:6][CH2:7][CH2:8][CH2:9][C:10]=2[C:11]=1[CH2:12][CH2:13][C:14]([OH:16])=[O:15] | 1 |
ClC1=NC(=C2N(C=NC2=N1)C[C@@H]1CC[C@H](CC1)CO)N[C@H](C)C1CCC1>ClCCl.c1ccncc1.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]1CC[C@H](CC1)CN1C=NC2=NC(=NC(=C12)N[C@H](C)C1CCC1)Cl | 3 |
BrC1=C(C=CC2=C1C=NS2)C>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]>CC=1C=CC2=C(C=NS2)C1B1OC(C(O1)(C)C)(C)C | 3 |
C1(=CC=C(C=C1)S(=O)(=O)OCCO[C@H]1C[C@H](C1)C(=O)OC(C)(C)C)C.OC1=C(C=O)C=C(C(=C1)OCC1=CC=C(C=C1)OC)OC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(=O)C1=C(OCCO[C@H]2C[C@H](C2)C(=O)OC(C)(C)C)C=C(C(=C1)OC)OCC1=CC=C(C=C1)OC | 3 |
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