smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
COC1=C(C=CC=C1)CCNC>N(C)(C)C=O.O.CCN(CC)CC.C(C)(=O)OCC.ClC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]>COC1=C(CCN(C(OC2=CC=C(C=C2)[N+](=O)[O-])=O)C)C=CC=C1 | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:9](=[CH:10][C:11]=1[N+:12]([O-])=O)[C:8](=[O:15])[N:7]([CH3:16])[CH2:6]2.O.O.Cl[Sn]Cl.C(Cl)Cl.[OH-].[Na+]>C(O)C.O>[NH2:12][C:11]1[CH:10]=[C:9]2[C:5]([CH2:6][N:7]([CH3:16])[C:8]2=[O:15])=[CH:4][C:3]=1[O:2][CH3:1] | 1 |
[S:1]([O-:17])([O:4]CCCCCCCCCCCC)(=[O:3])=[O:2].[Na+].[OH-:19].[Na+].C=C[C:23]1[CH:28]=CC=CC=1.C(C1C=CC=CC=1[CH:37]=[CH2:38])=C.[N:39]([C:50]([C:57]#N)(C)CCC(O)=O)=NC(C#N)(C)CCC(O)=O>O>[OH2:2].[N:39]1([CH2:28][CH2:23][S:1]([OH:17])(=[O:4])=[O:3])[CH2:38][CH2:37][O:19][CH2:57][CH2:50]1 | 2 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([OH:17])[CH2:9][C:10]2[CH:15]=[CH:14][C:13]([Br:16])=[CH:12][CH:11]=2)=[CH:4][CH:3]=1.[C:18](OC(=O)C)(=[O:20])[CH3:19]>N1C=CC=CC=1>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([O:17][C:18](=[O:20])[CH3:19])[CH2:9][C:10]2[CH:15]=[CH:14][C:13]([Br:16])=[CH:12][CH:11]=2)=[CH:4][CH:3]=1 | 1 |
Cl[S:2]([CH2:5][CH2:6][CH2:7][NH:8][C:9](=[O:11])[CH3:10])(=[O:4])=[O:3].C(N(CC)CC)C.[CH3:19][C:20]([CH3:34])([CH:23]([O:26][CH2:27][C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)[CH:24]=[CH2:25])[CH2:21][OH:22]>ClCCl.CN(C1C=CN=CC=1)C>[C:9]([NH:8][CH2:7][CH2:6][CH2:5][S:2]([O:22][CH2:21][C:20]([CH3:34])([CH3:19])[CH:23]([O:26][CH2:27][C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)[CH:24]=[CH2:25])(=[O:4])=[O:3])(=[O:11])[CH3:10] | 2 |
CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]1CC[C@H](CC1)NC(=O)OCC1=CC=CC=C1>CC#N.O.O.O.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>FC[C@@H]1CC[C@H](CC1)NC(OCC1=CC=CC=C1)=O | 3 |
C(C)(C)(C)OC(=O)N1C[C@@H](CCC1)N.ClC1=NC(=NC=C1C#N)C1=CN=C2N1C=C(C=C2)F>>C(#N)C=1C(=NC(=NC1)C1=CN=C2N1C=C(C=C2)F)N[C@H]2CN(CCC2)C(=O)OC(C)(C)C | 5 |
CC1(OB(OC1(C)C)C=1C=C2C=CC(=CC2=CC1)NC(=O)C1=CSC=C1)C.BrC=1C=C(C(=O)N)C=CC1C>C([O-])([O-])=O.[K+].[K+].[Pd].O1CCOCC1>C(N)(=O)C=1C=CC(=C(C1)C=1C=C2C=CC(=CC2=CC1)NC(=O)C1=CSC=C1)C | 3 |
C(C)(C)(C)[Si](C)(C)Cl.CNC1=NC=CC=C1CO>c1cnc[nH]1.ClCCl>[Si](C)(C)(C(C)(C)C)OCC=1C(=NC=CC1)NC | 3 |
COC(CCl)=O.C(C)(C)(C)OC(=O)N1C=CC2=C1N=CN=C2N2CCN(C1(CC1)C2)S(NC)(=O)=O>>COC(CN(S(=O)(=O)N1C2(CC2)CN(CC1)C=1C2=C(N=CN1)NC=C2)C)=O | 5 |
C1(OCCO1)=O.C(C)(C)(C)OC(NC1=CC(=C(C(=C1)Cl)O)Cl)=O>C1(=CC=CC=C1)C.C([O-])([O-])=O.[K+].[K+]>C(C)(C)(C)OC(NC1=CC(=C(C(=C1)Cl)OCCO)Cl)=O | 3 |
[CH:1]1([NH:7][C:8]([C:10]2[CH:11]=[N:12][N:13]([C:19]3[CH:24]=[CH:23][C:22]([CH2:25][C:26]([O:28]C)=[O:27])=[CH:21][CH:20]=3)[C:14]=2[S:15][CH2:16][CH2:17][CH3:18])=[O:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[OH-].[Na+]>CO>[CH:1]1([NH:7][C:8]([C:10]2[CH:11]=[N:12][N:13]([C:19]3[CH:24]=[CH:23][C:22]([CH2:25][C:26]([OH:28])=[O:27])=[CH:21][CH:20]=3)[C:14]=2[S:15][CH2:16][CH2:17][CH3:18])=[O:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1 | 1 |
[NH2:1][C:2]1[C:7]([CH3:8])=[CH:6][C:5]([N:9]2[CH:13]=[N:12][N:11]=[N:10]2)=[CH:4][C:3]=1I.[C:15]([O:19][CH2:20][CH3:21])(=[O:18])[CH:16]=[CH2:17]>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C(N(CC)CC)C>[NH2:1][C:2]1[C:7]([CH3:8])=[CH:6][C:5]([N:9]2[CH:13]=[N:12][N:11]=[N:10]2)=[CH:4][C:3]=1/[CH:17]=[CH:16]/[C:15]([O:19][CH2:20][CH3:21])=[O:18] | 1 |
C=O.[C:3]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[C:11]1[C:12](=[O:30])[N:13]([C:23]2[CH:28]=[CH:27][CH:26]=[C:25]([NH2:29])[CH:24]=2)[CH:14]=[C:15]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][N:18]=2)[CH:16]=1)#[N:4].[C:31](=O)(O)[O-].[Na+]>C(O)(=O)C>[C:3]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[C:11]1[C:12](=[O:30])[N:13]([C:23]2[CH:28]=[CH:27][CH:26]=[C:25]([NH:29][CH3:31])[CH:24]=2)[CH:14]=[C:15]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][N:18]=2)[CH:16]=1)#[N:4] | 1 |
N1N=CN=C1.C(#N)C=1C=C(C=O)C=CC1F>>C(=O)C=1C=CC(=C(C#N)C1)N1N=CN=C1 | 5 |
C(C=C)C1CC2=C(N(S1(=O)=O)C1=CC=CC=C1)C=CC=C2>O(O[H])[H].C1CCCO1.[OH-].[Na+].B1C2CCCC1CCC2>O=S1(N(C2=C(CC1CCCO)C=CC=C2)C2=CC=CC=C2)=O | 3 |
NC(CO)C(=O)OC.CC1=C(C(=C(N=N1)C1=CC=CC=C1)C(=O)O)C1=CC=CC=C1>N(C)(C)C=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>C1(=CC=CC=C1)C=1N=NC=C(C1C(=O)NC(C(=O)OC)CO)C1=CC=CC=C1 | 3 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([O:11][CH2:12][CH:13]2[O:17][C:16](=[O:18])[N:15]([CH2:19][C:20]3C=C[C:23](F)=[CH:22][CH:21]=3)[CH2:14]2)(=[O:10])=[O:9])=[CH:4][CH:3]=1.C1(N2CC(CO)OC2=O)CCCC1.FC1C=CC(CN2CC(CO)OC2=O)=CC=1>>[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([O:11][CH2:12][C@@H:13]2[O:17][C:16](=[O:18])[N:15]([CH:19]3[CH2:20][CH2:21][CH2:22][CH2:23]3)[CH2:14]2)(=[O:10])=[O:9])=[CH:4][CH:3]=1 | 2 |
[CH3:1][C:2]([O:5][C@H:6]([CH3:30])[C@@H:7]([C:26]([O:28][CH3:29])=[O:27])[NH:8][C:9]([C:11]1[CH:16]=[CH:15][C:14]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)=[CH:13][C:12]=1[N+:23]([O-])=O)=[O:10])([CH3:4])[CH3:3]>[Pd].C(O)C>[NH2:23][C:12]1[CH:13]=[C:14]([C:17]2[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=2)[CH:15]=[CH:16][C:11]=1[C:9]([NH:8][C@H:7]([C:26]([O:28][CH3:29])=[O:27])[C@@H:6]([CH3:30])[O:5][C:2]([CH3:3])([CH3:4])[CH3:1])=[O:10] | 2 |
[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([C:10](=[O:13])[CH2:11][CH3:12])=[CH:9][C:4]=2[CH:3]=[CH:2]1.[CH2:14](O)[CH2:15][OH:16].CC1C=CC(S(O)(=O)=O)=CC=1>C1(C)C=CC=CC=1>[CH2:11]([C:10]1([C:8]2[CH:7]=[CH:6][C:5]3[O:1][CH:2]=[CH:3][C:4]=3[CH:9]=2)[O:16][CH2:15][CH2:14][O:13]1)[CH3:12] | 1 |
C(C1=CC=CC=C1)O[C@@H]1[C@H](O[C@@]([C@@H]([C@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)(OC)C1=CC(=C(C=C1)C)CC=1SC(=CC1)C1=CC=C(C=C1)F)CO[Si](C)(C)C(C)(C)C>CO[H].C(C)(=O)Cl>C(C1=CC=CC=C1)O[C@@H]1[C@H](O[C@@]([C@@H]([C@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)(OC)C1=CC(=C(C=C1)C)CC=1SC(=CC1)C1=CC=C(C=C1)F)CO | 3 |
Cl.[NH2:2][OH:3].C([O-])(=O)C.[Na+].[O:9]1[CH2:14][CH2:13][CH2:12][CH2:11][CH:10]1[N:15]1[C:19]2[CH:20]=[CH:21][C:22]([C:24](=O)[CH2:25][CH3:26])=[CH:23][C:18]=2[N:17]=[CH:16]1.O>CO>[O:9]1[CH2:14][CH2:13][CH2:12][CH2:11][CH:10]1[N:15]1[C:19]2[CH:20]=[CH:21][C:22]([C:24](=[N:2][OH:3])[CH2:25][CH3:26])=[CH:23][C:18]=2[N:17]=[CH:16]1 | 1 |
[Mg].Br[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[CH3:9].[C:10]1([CH2:16][N:17]2[CH2:22][CH2:21][CH:20]([C:23]#N)[CH2:19][CH2:18]2)[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1.[Cl-].[NH4+].[OH2:27]>O(CC)CC>[CH3:9][C:4]1[CH:5]=[CH:6][CH:7]=[CH:8][C:3]=1[C:23]([CH:20]1[CH2:21][CH2:22][N:17]([CH2:16][C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)[CH2:18][CH2:19]1)=[O:27] | 1 |
C(C(C)(C)C)(=O)OC1=CC2=C(C(=CS2)CC(=O)OC)C(=C1)C=C>CC#N.C[N+]1(CCOCC1)[O-].CC(=O)C.I(=O)(=O)(=O)[O-].[Na+]>C(C(C)(C)C)(=O)OC1=CC2=C(C(=CS2)CC(=O)OC)C(=C1)C=O | 3 |
Br[C:2]1[S:3][N:4]=[C:5]2[CH:10]=[C:9]([Br:11])[CH:8]=[N:7][C:6]=12.[CH3:12][O-:13].[Na+].Cl>CO>[CH3:12][O:13][C:2]1[S:3][N:4]=[C:5]2[CH:10]=[C:9]([Br:11])[CH:8]=[N:7][C:6]=12 | 2 |
[CH3:1][O:2][C:3]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[CH:6]=[CH:5][CH:4]=1.C(O[CH2:17][C:18]1[CH:23]([C:24]([OH:26])=[O:25])[N:22]2[C:27](=[O:39])[CH:28]([NH:29][C:30](=[O:38])[CH2:31][C:32]3[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=3)[C@H:21]2[S:20][CH:19]=1)(=O)C>FC(F)(F)C(O)=O.C1(C)C=CC=CC=1>[CH3:1][O:2][C:3]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[C:6]([CH2:17][C:18]2[CH:23]([C:24]([OH:26])=[O:25])[N:22]3[C:27](=[O:39])[CH:28]([NH:29][C:30](=[O:38])[CH2:31][C:32]4[CH:33]=[CH:34][CH:35]=[CH:36][CH:37]=4)[C@H:21]3[S:20][CH:19]=2)=[CH:5][CH:4]=1 | 1 |
Cl[C:2]1[CH:3]=[CH:4][C:5]2[N:6]([C:8]([CH2:11][C:12]3[CH:13]=[C:14]4[C:19](=[CH:20][CH:21]=3)[N:18]=[CH:17][C:16]([C:22]3[CH:23]=[N:24][N:25]([CH3:27])[CH:26]=3)=[CH:15]4)=[N:9][N:10]=2)[N:7]=1.[CH:28](B1OC(C)(C)C(C)(C)O1)=[CH2:29].C(=O)([O-])[O-].[K+].[K+]>C1C=CC([PH+]([C]2[CH][CH][CH][CH]2)C2C=CC=CC=2)=CC=1.C1C=CC([PH+]([C]2[CH][CH][CH][CH]2)C2C=CC=CC=2)=CC=1.C(Cl)Cl.Cl[Pd]Cl.[Fe]>[CH3:27][N:25]1[CH:26]=[C:22]([C:16]2[CH:17]=[N:18][C:19]3[C:14]([CH:15]=2)=[CH:13][C:12]([CH2:11][C:8]2[N:6]4[N:7]=[C:2]([CH:28]=[CH2:29])[CH:3]=[CH:4][C:5]4=[N:10][N:9]=2)=[CH:21][CH:20]=3)[CH:23]=[N:24]1 | 1 |
OCC1CCNCC1.N(=[N+]=[N-])C(C(=O)Cl)(C)C>O.[OH-].[Na+].O1CCOCC1>OCC1CCN(CC1)C(C(C)(C)N=[N+]=[N-])=O | 3 |
FC=1C=C(C(=O)Cl)C=CC1.COC1=CC=C(C=2N1N=C(N2)N)C2=CC=CC=C2>CCN(CC)CC.O1CCOCC1>FC=1C=C(C(=O)NC2=NN3C(C(=CC=C3OC)C3=CC=CC=C3)=N2)C=CC1 | 3 |
C(C)OC(=O)NCC1(CCCCC1)CC(=O)OC1=CC(=CC=C1)[C@@]1([C@H](CCCC1)CN(C)C)O>>Cl.C(C)OC(=O)NCC1(CCCCC1)CC(=O)OC1=CC(=CC=C1)[C@@]1([C@H](CCCC1)CN(C)C)O | 5 |
CC(C(=O)O)(C)C.C(C)(=O)C=1C=CC(=C(COC2=CC=C3CCCC(C3=C2)=O)C1)Br>>C(C)(=O)C=1C=CC2=C(COC=3C=C4C(=CC23)CCCC4=O)C1 | 5 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[CH2:14][CH:13]([CH2:15][CH:16]3[CH2:21][CH2:20][N:19](CC4C=CC=CC=4)[CH2:18][CH2:17]3)[C:11](=[O:12])[C:6]2=[CH:7][C:8]=1[O:9][CH3:10].COC1C=C2C(=CC=1OC)C(=O)CC2.N1C=CC(C=O)=CC=1>>[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:6](=[CH:7][C:8]=1[O:9][CH3:10])[C:11](=[O:12])[C:13](=[CH:15][C:16]1[CH:21]=[CH:20][N:19]=[CH:18][CH:17]=1)[CH2:14]2 | 1 |
C(C)(=O)O[C@@H]1C(N(C(C1)=O)C1CC(OC2=NC(=C(C=C21)C2=CC=C(C=C2)Cl)C2=C(C=C(C=C2)Cl)Cl)(C)C)=O>>ClC1=CC=C(C=C1)C=1C=C2C(=NC1C1=C(C=C(C=C1)Cl)Cl)OC(CC2N2C([C@H](CC2=O)O)=O)(C)C | 5 |
OC1=CC=C(C(=O)C2=CC=C(CSC3=NC4=CC=CC(=C4C(N3C)=O)C)C=C2)C=C1>C1CCCO1.CCN(CC)CC.P(=O)(OCC)(OCC)Cl>C(C)OP(=O)(OCC)OC1=CC=C(C(=O)C2=CC=C(CSC3=NC4=CC=CC(=C4C(N3C)=O)C)C=C2)C=C1 | 3 |
ClC1=NC(=CC(=C1)C(=O)O)C>>ClC=1C=C(C(=O)NN)C=C(N1)C | 5 |
C(=O)(O)C1=CC=C(C=C1)N1CCN(CC1)C(=O)OC(C)(C)C.N1(CCNCC1)C(C=C)=O.NC=1SC(=CN1)SC=1C(=CC(=C(C(=O)O)C1)OC)C>N(C)(C)C=O.C(=O)(C(F)(F)F)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>COC1=CC(=C(C=C1C(=O)N1CCN(CC1)C(C=C)=O)SC1=CN=C(S1)NC(=O)C1=CC=C(C=C1)N1CCN(CC1)C(=O)OC(C)(C)C)C | 3 |
C1(CCC1)O.ClC1=NC(=CN=C1)Cl>C1CCCO1.[H-].[Na+].[Cl-].[NH4+]>ClC1=NC(=CN=C1)OC1CCC1 | 3 |
C[C@@H](CC(=O)O)CCC[C@@H](CCC[C@@H](CCC[C@@H](CC[C@H](CCC[C@H](CCC[C@H](CCC[C@H](CC(=O)O)C)C)C)C)C)C)C.OC[C@@H](COCC1=CC=C(C=C1)OC)OCC[C@@H](CCC[C@@H](CCC[C@@H](CCC[C@@H](CC[C@H](CCC[C@H](CCC[C@H](CCC[C@H](CCO[C@@H](CO)COCC1=CC=C(C=C1)OC)C)C)C)C)C)C)C)C>C1(=CC=NC=C1)N(C)C.ClCCl.[H-].[K+].[Cl-].ClC=1[N+](CCN1)(C)C>COC1=CC=C(COC[C@H]2OCC[C@@H](CCC[C@@H](CCC[C@@H](CCC[C@@H](CC[C@H](CCC[C@H](CCC[C@H](CCC[C@H](CCO[C@@H](COC(C[C@@H](CCC[C@@H](CCC[C@@H](CCC[C@@H](CC[C@H](CCC[C@H](CCC[C@H](CCC[C@H](CC(OC2)=O)C)C)C)C)C)C)C)C)=O)COCC2=CC=C(C=C2)OC)C)C)C)C)C)C)C)C)C=C1 | 3 |
C(OC([N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15](=[O:34])[CH2:16][C:17]2[CH:22]=[CH:21][C:20]([N:23]3[CH2:27][CH2:26][C@H:25]([N:28]4[CH2:32][CH2:31][CH2:30][C@@H:29]4[CH3:33])[CH2:24]3)=[CH:19][CH:18]=2)[CH2:10][CH2:9]1)=O)(C)(C)C.C1(S)C=CC=CC=1.[ClH:42]>O1CCOCC1>[ClH:42].[CH3:33][C@H:29]1[CH2:30][CH2:31][CH2:32][N:28]1[C@H:25]1[CH2:26][CH2:27][N:23]([C:20]2[CH:19]=[CH:18][C:17]([CH2:16][C:15]([NH:14][CH:11]3[CH2:10][CH2:9][NH:8][CH2:13][CH2:12]3)=[O:34])=[CH:22][CH:21]=2)[CH2:24]1 | 1 |
C(C)(C)(C)OC(=O)N1CC(C1)O>O.ClCCl.CCN(CC)CC.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>S(=O)(=O)(C1=CC=C(C)C=C1)OC1CN(C1)C(=O)OC(C)(C)C | 3 |
CC1(CNC=2C1=NC=C(C2)N2CCOCC2)C.ClC1=C(C(=NC2=CC(=CC(=C12)F)F)CC1=CC(=CC=C1)F)C>>CC1(CN(C=2C1=NC=C(C2)N2CCOCC2)C2=C(C(=NC1=CC(=CC(=C21)F)F)CC2=CC(=CC=C2)F)C)C | 5 |
BrC=1C=NC=CC1C=O.N[C@@H]1[C@H](CCCC1)N.ClC=1C=C2CCNC(C2=CC1)=O>>ClC=1C=C2CCN(C(C2=CC1)=O)C=1C=C(C=NC1)C=O | 5 |
C(C(C)C)C1=CC=CC=C1>ClCCl.II.N(=O)[O-].[Ag+]>IC1=CC=C(C=C1)CC(C)C | 3 |
O=C(CC(=O)OC)C.COC(C1=CC=CC=C1)=O>Cl.C(C)(C)[N-]C(C)C.[Li+].CN(CCN(C)C)C>O=C(CC(=O)OC)CC(C1=CC=CC=C1)=O | 3 |
NOS(=O)(=O)O.CC1(CC(C2=C(N=C(S2)N2CCOCC2)C1)=O)C>>CC1(CC2=C(NC(C1)=O)SC(=N2)N2CCOCC2)C | 5 |
C(#N)C1=CC(=C(C=C1)C1C(=C(NC2=CC(=NC(=C12)OCC)C)C)C(=O)O)OC>C(C)(=O)OCC.C(=O)(C=1NC=CN1)C=1NC=CN1.C(C)(=O)OCC.C1CCCCC1>C(#N)C1=CC(=C(C=C1)C1C(=C(NC2=CC(=NC(=C12)OCC)C)C)C(=O)N)OC | 3 |
Br[C:2]1[CH:11]=[C:10]2[C:5]([C:6]([NH:12][C:13]3[CH:14]=[C:15]([CH2:18][C:19]([NH:21][C:22]4[CH:27]=[CH:26][CH:25]=[C:24]([F:28])[CH:23]=4)=[O:20])[NH:16][N:17]=3)=[N:7][CH:8]=[N:9]2)=[CH:4][CH:3]=1.[CH3:29][O:30][C:31]([C:33]1[CH:38]=[CH:37][C:36](B(O)O)=[CH:35][CH:34]=1)=[O:32].[F-].[Cs+].C1OCCOCCOCCOCCOCCOC1>O1CCOCC1.O.[Cl-].[Na+].O.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].CC(O)C.CCOC(C)=O>[F:28][C:24]1[CH:23]=[C:22]([NH:21][C:19](=[O:20])[CH2:18][C:15]2[NH:16][N:17]=[C:13]([NH:12][C:6]3[C:5]4[C:10](=[CH:11][C:2]([C:36]5[CH:37]=[CH:38][C:33]([C:31]([O:30][CH3:29])=[O:32])=[CH:34][CH:35]=5)=[CH:3][CH:4]=4)[N:9]=[CH:8][N:7]=3)[CH:14]=2)[CH:27]=[CH:26][CH:25]=1 | 2 |
BrC1=CC=CC2=CC=CC=C12.C(#N)CC1N(CCN(C1)C=1C2=C(N=C(N1)SC)CNCC2)C(=O)OC(C)(C)C>C1(=CC=CC=C1)C.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(C)(C)OC(=O)N1C(CN(CC1)C=1C2=C(N=C(N1)SC)CN(CC2)C2=CC=CC1=CC=CC=C21)CC#N | 3 |
CN(CCCN(CC(NC1=CC=C(C=C1)OC1=CC=C(C=C1)C=1OC=CN1)=O)C)CC1=CC=C(C(=O)OC)C=C1>C1CCCO1.[OH-].[Li+]>CN(CCCN(CC(NC1=CC=C(C=C1)OC1=CC=C(C=C1)C=1OC=CN1)=O)C)CC1=CC=C(C(=O)O)C=C1 | 3 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-])=O)=[CH:4][C:3]=1[CH:11]=[CH:12][C:13]1[CH:14]=[C:15]2[CH:21]=[C:20]([C:22](=[O:24])[CH3:23])[NH:19][C:16]2=[N:17][CH:18]=1.[H][H]>CN(C=O)C.[Pd]>[NH2:8][C:5]1[CH:6]=[CH:7][C:2]([CH3:1])=[C:3]([CH2:11][CH2:12][C:13]2[CH:14]=[C:15]3[CH:21]=[C:20]([C:22](=[O:24])[CH3:23])[NH:19][C:16]3=[N:17][CH:18]=2)[CH:4]=1 | 2 |
BrCC(=O)OC(C)(C)C.OC=1C=CC2=C(C(N=C(S2)C2=NC=CC=C2)=O)C1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>O=C1N=C(SC2=C1C=C(C=C2)OCC(=O)OC(C)(C)C)C2=NC=CC=C2 | 3 |
N1(CCC[C@@H]2CCCC[C@H]12)C(=O)C1=NSC(=C1)N1C(C2=CC=CC=C2C1=O)=O>CCO[H].O.NN>NC1=CC(=NS1)C(=O)N1CCC[C@@H]2CCCC[C@H]12 | 3 |
C(C=C)OP(=O)(OCC=C)OCC1=C(C(=O)OCC2=CC=C(C=C2)OC)C=C(C=C1)C#N>C(=O)(C(F)(F)F)O.C1(=CC=CC=C1)OC>C(C=C)OP(=O)(OCC=C)OCC1=C(C(=O)O)C=C(C=C1)C#N | 3 |
CC[Hg]N1C(=O)C2C3(Cl)C(Cl)(Cl)C(Cl)(C2C1=O)C(Cl)=C3Cl.C[CH:23](O)[C:24]([O-:26])=[O:25].CC(O)C([O-])=O.[CH:34]1[CH:39]=[CH:38][C:37]([Hg+:40])=[CH:36][CH:35]=1.C([NH3+])CO.N#CN.[Ca]>[Ni]>[CH3:23][C:24]([O:26][Hg:40][C:37]1[CH:38]=[CH:39][CH:34]=[CH:35][CH:36]=1)=[O:25] | 1 |
[C:1]1([S:7]([C:10]2[C:18]3[C:13](=[CH:14][CH:15]=[C:16]([Cl:19])[CH:17]=3)[NH:12][C:11]=2[C:20]([O:22]CC)=O)(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[Cl-].[NH4+:26]>[OH-].[NH4+]>[C:1]1([S:7]([C:10]2[C:18]3[C:13](=[CH:14][CH:15]=[C:16]([Cl:19])[CH:17]=3)[NH:12][C:11]=2[C:20]([NH2:26])=[O:22])(=[O:9])=[O:8])[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
[CH3:1][O:2][CH:3]([O:15][CH3:16])[CH:4]([S:9][CH2:10][CH2:11][C:12](=[O:14])[CH3:13])OC(=O)C.C([O-])([O-])=[O:18].[K+].[K+]>CO>[CH3:1][O:2][CH:3]([O:15][CH3:16])[CH2:4][S:9][CH2:10][CH:11]([OH:18])[C:12](=[O:14])[CH3:13] | 1 |
C1(CC1)C(=O)NC1=NC=CC(=C1)NC=1C(=C(C(=O)OC(C)(C)C)C=CC1)OC>ClCCl.Cl.O1CCOCC1>C1(CC1)C(=O)NC1=NC=CC(=C1)NC=1C(=C(C(=O)O)C=CC1)OC | 3 |
OC1=C(C(=O)O)C=C(C(=N1)N1CCC(CC1)OC=1C=NC(=CC1)OC)C>ClCCl.CCN(CC)CC.[Cl-].[NH4+].F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>F[P-](F)(F)(F)(F)F.C(N)(=O)C=1C(=NC(=C(C1)C)N1CCC(CC1)OC=1C=NC(=CC1)OC)OC(N(C)C)=[N+](C)C | 3 |
ClC1=C(C(=CC=C1)Cl)I.N1CC(C1)C1=CC(=C(CN2C[C@@H](CC2)C(=O)OC)C(=C1)C)C>C(=O)(C(F)(F)F)O.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].CS(=O)(=O)O[Pd]c1ccccc1-c2ccccc2N.CC(C)Oc3cccc(OC(C)C)c3-c4ccccc4P(C5CCCCC5)C6CCCCC6>ClC1=C(C(=CC=C1)Cl)N1CC(C1)C1=CC(=C(CN2C[C@@H](CC2)C(=O)OC)C(=C1)C)C | 3 |
C(C=1C(S)=CC=CC1)(=O)O>[H-].[Na+].COCCOC>SC1=C(C(=O)[O-])C=CC=C1.[Na+] | 3 |
ClC=1C(=C(N)C=CC1)OC.FC1=CN=C2C(=CC=NC2=C1)C1=C(C=2C(NCCC2N1)=O)I>N(C)(C)C=O.C.CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C(=CC=C2)OC(C)C)[PH+](C3CCCCC3)C4CCCCC4)C(C)C.C[N-]C1=CC=CC=C1C2=CC=CC=[C-]2.CS(=O)(=O)O.[Pd+2]>FC1=CN=C2C(=CC=NC2=C1)C1=C(C=2C(NCCC2N1)=O)NC1=C(C(=CC=C1)F)OC | 3 |
[C:1]1(/[CH:10]=[CH:11]/[C:12]2[CH:17]=[CH:16][CH:15]=[C:14]([C:18]([OH:20])=[O:19])[CH:13]=2)[C:2]([C:7]([OH:9])=[O:8])=[CH:3][CH:4]=[CH:5][CH:6]=1.[CH3:21][O:22][C@H:23]1[O:28][C@H:27]([CH2:29][O:30][S:31]([O-:34])(=[O:33])=[O:32])[C@@H:26]([O:35][C@@H:36]2[O:41][C@@H:40]([C:42]([OH:44])=[O:43])[C@@H:39]([O:45][C@H:46]3[O:51][C@H:50]([CH2:52][O:53][S:54]([O-:57])(=[O:56])=[O:55])[C@@H:49]([O:58][C@@H:59]4[O:64][C@H:63]([C:65]([OH:67])=[O:66])[C@@H:62]([O:68][C@H:69]5[O:74][C@H:73]([CH2:75][O:76][S:77]([O-:80])(=[O:79])=[O:78])[C@@H:72]([OH:81])[C@H:71]([OH:82])[C@H:70]5[NH:83][S:84]([O-:87])(=[O:86])=[O:85])[C@H:61]([OH:88])[C@H:60]4[OH:89])[C@H:48]([O:90][S:91]([O-:94])(=[O:93])=[O:92])[C@H:47]3[NH:95][S:96]([O-:99])(=[O:98])=[O:97])[C@H:38]([OH:100])[C@H:37]2[O:101][S:102]([O-:105])(=[O:104])=[O:103])[C@H:25]([OH:106])[C@H:24]1[NH:107][S:108]([O-:111])(=[O:110])=[O:109].[Na+:112].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]>O>[CH2:10]([C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7]([OH:9])=[O:8])[CH2:11][C:12]1[CH:13]=[C:14]([CH:15]=[CH:16][CH:17]=1)[C:18]([OH:20])=[O:19].[CH3:21][O:22][C@H:23]1[O:28][C@H:27]([CH2:29][O:30][S:31]([O-:34])(=[O:32])=[O:33])[C@@H:26]([O:35][C@@H:36]2[O:41][C@@H:40]([C:42]([OH:44])=[O:43])[C@@H:39]([O:45][C@H:46]3[O:51][C@H:50]([CH2:52][O:53][S:54]([O-:57])(=[O:56])=[O:55])[C@@H:49]([O:58][C@@H:59]4[O:64][C@H:63]([C:65]([OH:67])=[O:66])[C@@H:62]([O:68][C@H:69]5[O:74][C@H:73]([CH2:75][O:76][S:77]([O-:80])(=[O:78])=[O:79])[C@@H:72]([OH:81])[C@H:71]([OH:82])[C@H:70]5[NH:83][S:84]([O-:87])(=[O:85])=[O:86])[C@H:61]([OH:88])[C@H:60]4[OH:89])[C@H:48]([O:90][S:91]([O-:94])(=[O:93])=[O:92])[C@H:47]3[NH:95][S:96]([O-:99])(=[O:98])=[O:97])[C@H:38]([OH:100])[C@H:37]2[O:101][S:102]([O-:105])(=[O:104])=[O:103])[C@H:25]([OH:106])[C@H:24]1[NH:107][S:108]([O-:111])(=[O:110])=[O:109].[Na+:112].[Na+:112].[Na+:112].[Na+:112].[Na+:112].[Na+:112].[Na+:112].[Na+:112].[Na+:112].[Na+:112] | 1 |
C(C)(=O)OCC(CN1C([C@H](O[C@@H](C2=C1C=CC(=C2)Cl)C2=C(C(=CC=C2)OC)OC)CC(=O)NC2=C(C=C(C=C2)CCC(=O)OCC)C)=O)(C)C>>ClC=1C=CC2=C([C@H](O[C@@H](C(N2CC(CO)(C)C)=O)CC(=O)NC2=C(C=C(C=C2)CCC(=O)O)C)C2=C(C(=CC=C2)OC)OC)C1 | 5 |
ClC1=NC=C(C(=N1)N[C@H]1[C@@H](CCCC1)NS(=O)(=O)C)Cl.CC1(C2=C(NCCC1)C=CC(=C2)N)C>Cl.O1CCOCC1.COCCO>ClC=1C(=NC(=NC1)NC1=CC2=C(NCCCC2(C)C)C=C1)N[C@H]1[C@@H](CCCC1)NS(=O)(=O)C | 3 |
[CH2:1]([O:8][C:9]([N:11]1[CH2:16][CH2:15][CH:14]([CH2:17][CH2:18][C:19]([OH:21])=O)[CH2:13][CH2:12]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CN1CCOCC1.C(OC(Cl)=O)C(C)C.[CH2:37]([O:39][C:40](=[O:56])[CH2:41][CH2:42][NH:43][C:44]([CH:46]1[CH2:55][C:54]2[C:49](=[CH:50][CH:51]=[CH:52][CH:53]=2)[NH:48][CH2:47]1)=[O:45])[CH3:38]>CN(C)C=O.O1CCCC1.O>[CH2:37]([O:39][C:40](=[O:56])[CH2:41][CH2:42][NH:43][C:44]([CH:46]1[CH2:55][C:54]2[C:49](=[CH:50][CH:51]=[CH:52][CH:53]=2)[N:48]([C:19](=[O:21])[CH2:18][CH2:17][CH:14]2[CH2:13][CH2:12][N:11]([C:9]([O:8][CH2:1][C:2]3[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=3)=[O:10])[CH2:16][CH2:15]2)[CH2:47]1)=[O:45])[CH3:38] | 1 |
C(C)(C)(C)OC(=O)N1C(=CC2=CC=CC=C12)B(O)O.BrC=1C=CC(=C(C1)S(=O)(=O)NC1CCCCC1)CC>O.O1CCOCC1.[F-].[Cs+]>C(C)(C)(C)OC(=O)N1C(=CC2=CC=CC=C12)C1=CC(=C(C=C1)CC)S(NC1CCCCC1)(=O)=O | 3 |
C1(=CC=CC=C1)[Mg]Br.S(C#N)C=1NC=CC1>>C1(=CC=CC=C1)SC=1NC=CC1 | 5 |
C(C)OC(=O)C1=NC=NC=C1NC(CC1=C(C=C(C=C1F)F)F)=O>>OC1=C(C(C=2N=CN=CC2N1)=O)C1=C(C=C(C=C1F)F)F | 5 |
Cl.C1N(C[C@@H]2[C@H]1CNC2)C(=O)C2=CC=C(C=C2)S(=O)(=O)N.C1(CC1)C=1C(=NC=C(C(=O)O)C1)OC1CCOCC1>N(C)(C)C=O.C(C)(=O)OCC.[Cl-].[NH4+].CN1CCOCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C1(CC1)C=1C(=NC=C(C(=O)N2C[C@H]3[C@@H](C2)CN(C3)C(=O)C3=CC=C(C=C3)S(=O)(=O)N)C1)OC1CCOCC1 | 3 |
ClC1=NC=CC(=N1)C1=CNC2=C(C=CC=C12)[N+](=O)[O-]>O.C1CCCO1.[Fe].[Cl-].[NH4+]>ClC1=NC=CC(=N1)C1=CNC2=C(C=CC=C12)N | 3 |
FC1=CC=C(C=C1)[N+](=O)[O-].C1OCCN2[C@@H]1CNCC2>O.CCN(CC)CC.CS(=O)C>[N+](=O)([O-])C1=CC=C(C=C1)N1C[C@@H]2COCCN2CC1 | 3 |
[OH2:1].[C:2](Cl)(=[O:7])[CH2:3][CH2:4][CH2:5][CH3:6].[CH3:9][NH:10][C:11](=[O:28])[CH2:12][NH:13][CH2:14][C:15]1[C:20]([I:21])=[C:19]([NH2:22])[C:18]([I:23])=[C:17]([C:24]([OH:26])=[O:25])[C:16]=1[I:27]>CC(N(C)C)=O>[CH3:9][NH:10][C:11](=[O:28])[CH2:12][NH:13][C:14](=[O:1])[C:15]1[C:20]([I:21])=[C:19]([NH:22][C:2](=[O:7])[CH2:3][CH2:4][CH2:5][CH3:6])[C:18]([I:23])=[C:17]([C:24]([OH:26])=[O:25])[C:16]=1[I:27] | 1 |
N1(CCCCC1)CCN.N(=[N+]=[N-])[C@H]([C@H](C[C@H](C(=O)O)C(C)C)O[Si](C)(C)C(C)(C)C)C[C@@H](C(C)C)CC1=CC(=C(C=C1)OC)OCCCOC>CC#N.CCN(CC)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>N1(CCCCC1)CCNC([C@@H](C[C@@H]([C@H](C[C@@H](C(C)C)CC1=CC(=C(C=C1)OC)OCCCOC)N=[N+]=[N-])O[Si](C)(C)C(C)(C)C)C(C)C)=O | 3 |
NC1=NC=CC=C1.ClC1=C(C=CC(=C1)Cl)CCOC1=CC=CC(=N1)C=1C=C(C(=O)O)C=CC1>>ClC1=C(C=CC(=C1)Cl)CCOC1=CC=CC(=N1)C=1C=C(C(=O)NC2=NC=CC=C2)C=CC1 | 5 |
NC1=NC(=NC=C1C(=O)C1=C(C(=CC=C1OC)F)F)NC1CCN(CC1)S(=O)(=O)C>CO[H].C[O-].[Na+]>NC1=NC(=NC=C1C(=O)C1=C(C(=CC=C1OC)F)OC)NC1CCN(CC1)S(=O)(=O)C | 3 |
ClS(=O)(=O)O.CC=1N=COC1C1=CC=CC=C1>>CC=1N=COC1C1=CC=C(C=C1)S(=O)(=O)Cl | 5 |
CN1N=C(C(=C1)C(=O)Cl)C(F)(F)F.CONC(C)[C@H]1[C@@H](C1)C1=C(SC(=C1Cl)Cl)Cl>ClCCl.CCN(CC)CC>CON(C(=O)C=1C(=NN(C1)C)C(F)(F)F)C(C)[C@H]1[C@@H](C1)C1=C(SC(=C1Cl)Cl)Cl | 3 |
ClC1=C(C=C(C=C1)C1=C(C=C(O1)C(C#N)(C)C)C1=CC=NC=C1)OC>ClCCl.B(Br)(Br)Br>ClC1=C(C=C(C=C1)C1=C(C=C(O1)C(C#N)(C)C)C1=CC=NC=C1)O | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC1=C(C=C2C(N(C=NC2=C1)NC1=C(C=CC(=C1)Cl)SCC)=O)C>>BrC1=C(C=C2C(N(C=NC2=C1)N(C(OC(C)(C)C)=O)C1=C(C=CC(=C1)Cl)SCC)=O)C | 5 |
CC1(OB(OC1(C)C)C=1C=NNC1)C.Cl.Cl.BrCC1=NC=CN=C1>>CC1(C(OB(O1)C=1C=NN(C1)CC1=NC=CN=C1)(C)C)C | 5 |
C(C)(C)(C)OC(CN1CCN(CCN(CC1)CC(CC1=CC=C(C=C1)NC(CCC(C)C1CCC2C3CCC4CC(CCC4(C3CC(C12C)O)C)O)=O)NCC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)=O>Cl.O1CCOCC1>C(=O)(O)CN1CCN(CCN(CC1)CC(CC1=CC=C(C=C1)NC(CCC(C)C1CCC2C3CCC4CC(CCC4(C3CC(C12C)O)C)O)=O)NCC(=O)O)CC(=O)O | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)N1N=C2C=C(C(=CC2=C1)C(=O)O)OC(C)C.Cl.NC=1C(N(C=CC1)[C@@H]1[C@@H](C1)F)=O>N(C)(C)C=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>C(C)(C)OC=1C(=CC2=CN(N=C2C1)C1CCN(CC1)C(=O)OC(C)(C)C)C(NC=1C(N(C=CC1)[C@@H]1[C@@H](C1)F)=O)=O | 3 |
C1(=CCCCC1)CCN1C(SCC1=O)CCCC1=CC=C(C(=O)O)C=C1>O.C(=O)(C(F)(F)F)O.Cl.[OH-].[Na+]>OC1(CCCCC1)CCN1C(SCC1=O)CCCC1=CC=C(C(=O)O)C=C1 | 3 |
NC1=C(C=C(C(=C1)Br)OC)SCC(C(=O)O)(CCC)CC>O.ClCCl.CCN(CC)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>BrC=1C(=CC2=C(NC(C(CS2)(CCC)CC)=O)C1)OC | 3 |
Br[CH:2]([CH3:11])[C:3]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)=[O:4].[S-:12][C:13]#[N:14].[K+].O>C(O)C>[CH3:11][CH:2]([S:12][C:13]#[N:14])[C:3](=[O:4])[C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1 | 1 |
C(C)(C)C1=CC=C(CCl)C=C1>CO[H].c3c(P(c1ccccc1)c2ccccc2)cccc3>[Cl-].C(C)(C)C1=CC=C(C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1 | 3 |
Br[C:2]1[N:7]=[C:6]([NH2:8])[CH:5]=[N:4][CH:3]=1.[F:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1B(O)O.C([O-])([O-])=O.[Na+].[Na+].C1(C)C=CC=CC=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]>[F:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[C:2]1[N:7]=[C:6]([NH2:8])[CH:5]=[N:4][CH:3]=1 | 2 |
CN1CCNCC1.C1(CC1)CONC(=O)C1=CC2=C(N=CN2CCCC=O)C(=C1NC1=C(C=C(C=C1)Br)C)F>CC#N.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.C[N+](C)(C)C>C1(CC1)CONC(=O)C1=CC2=C(N=CN2CCCCN2CCN(CC2)C)C(=C1NC1=C(C=C(C=C1)Br)C)F | 3 |
BrC=1C=CC(=C(C1)C)OC.CC1(OC2=C(C1=O)C(=C(C(=C2C)C)N2CCNCC2)C)C>C1(=CC=CC=C1)C.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CC(C)(C)[O-].[Na+].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>COC1=C(C=C(C=C1)N1CCN(CC1)C=1C(=C(C2=C(C(C(O2)(C)C)=O)C1C)C)C)C | 3 |
O=C1[C@@H](CC2=C(C=3C=NNC3C=C2)CN1C1CCN(CC1)C(=O)OC(C)(C)C)NC(=O)N1CCC(CC1)N1C(NC2=CC=CC=C2C1)=O>>O=C1NC2=CC=CC=C2CN1C1CCN(CC1)C(=O)N[C@@H]1CC2=C(C=3C=NNC3C=C2)CN(C1=O)C1CNCC1 | 5 |
ClCC(=O)NNC(=O)C1=CC=CC=C1>C1CCCO1.COC=1C=CC(=CC1)P2(=S)SP(=S)(S2)C=3C=CC(=CC3)OC>ClCC=1SC(=NN1)C1=CC=CC=C1 | 3 |
Br[C:2]1[S:3][CH:4]=[C:5]([C:7]2[CH:12]=[CH:11][CH:10]=[C:9]([Cl:13])[CH:8]=2)[N:6]=1.[N:14]1([C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])[CH2:19][CH2:18][NH:17][CH2:16][CH2:15]1.C(=O)([O-])[O-].[K+].[K+].O>CN(C)C=O>[Cl:13][C:9]1[CH:8]=[C:7]([C:5]2[N:6]=[C:2]([N:17]3[CH2:16][CH2:15][N:14]([C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])[CH2:19][CH2:18]3)[S:3][CH:4]=2)[CH:12]=[CH:11][CH:10]=1 | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.CS(=O)(=O)O[C@@H]1[C@@H]2[C@H](NC1)[C@H](CO2)O>>O[C@H]1CO[C@H]2[C@@H]1N(C[C@@H]2OS(=O)(=O)C)C(=O)OC(C)(C)C | 5 |
C(C)OC=1C=C(C=CC1)CC(=O)OC>CCO[H].[OH-].[Na+]>C(C)OC=1C=C(C=CC1)CC(=O)O | 3 |
C(C1=CC=CC=C1)OC1=CC=C(CC2C(OC(O2)(C)C)=O)C=C1>>OC1=CC=C(CC2C(OC(O2)(C)C)=O)C=C1 | 5 |
BrC1=C2C=CNC2=C(C=C1)C(=O)N.CN(\C=C\[N+](=O)[O-])C>>BrC1=C2C(=CNC2=C(C=C1)C(=O)N)C=C[N+](=O)[O-] | 5 |
[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[NH:8][S:9]([CH3:12])(=[O:11])=[O:10].[C:13](=O)([O-])[O-].[Cs+].[Cs+].IC>C(#N)C.ClCCl>[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]([CH3:13])[S:9]([CH3:12])(=[O:11])=[O:10] | 1 |
[CH:1]1([C:7]2[C:8]3[CH:9]=[CH:10][C:11]([C:26]([O:28][CH3:29])=[O:27])=[CH:12][C:13]=3[N:14]3[CH2:21][CH2:20][NH:19][CH2:18][C:17]4[CH:22]=[CH:23][CH:24]=[CH:25][C:16]=4[C:15]=23)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[CH3:30][N:31]1[CH:35]=[C:34]([CH:36]=O)[CH:33]=[N:32]1.C(O)(=O)C.[BH3-]C#N.[Na+]>CO>[CH:1]1([C:7]2[C:8]3[CH:9]=[CH:10][C:11]([C:26]([O:28][CH3:29])=[O:27])=[CH:12][C:13]=3[N:14]3[CH2:21][CH2:20][N:19]([CH2:36][C:34]4[CH:33]=[N:32][N:31]([CH3:30])[CH:35]=4)[CH2:18][C:17]4[CH:22]=[CH:23][CH:24]=[CH:25][C:16]=4[C:15]=23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1 | 1 |
CC(C#N)(O)C.ClCCO>[Cl-].[Zn+2].[Cl-]>ClCCOC(C#N)(C)C | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)C1S(N(C2=C(C1=O)C=CC=C2)COCC[Si](C)(C)C)(=O)=O>CO[H].[Na+].[BH4-].O.C1(=CC=C(C=C1)S(=O)(=O)O)C>C1(=CC=C(C=C1)S(=O)(=O)O)C.N1CCC(CC1)C=1S(NC2=C(C1)C=CC=C2)(=O)=O | 3 |
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