smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[N+](=O)([O-])C=1C=C(NC)C=CC1>C1(=CC=NC=C1)N(C)C.ClCCl.C(C)(=O)Cl.C(C)(C)N(C(C)C)CC>CN(C1=CC(=CC=C1)[N+](=O)[O-])C(C)=O | 3 |
CN(N)C(C1=CC=CC=C1)=O.C1=CC=C(C=C1)P2(=[Se])[Se]P(=[Se])([Se]2)C3=CC=CC=C3>>CN(N)C(C1=CC=CC=C1)=[Se] | 5 |
CN1CCOCC1.[N+:8]([C:11]1[N:12]=[C:13]([CH:16]([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[C:17]([OH:19])=O)[NH:14][CH:15]=1)([O-:10])=[O:9].ClC1N=C(OC)N=C(OC)N=1.Cl.[CH3:38][O:39][C:40](=[O:46])[C@@H:41]1[CH2:45][CH2:44][CH2:43][NH:42]1>O1CCCC1.C(OC)(C)(C)C.CO.C(Cl)Cl>[N+:8]([C:11]1[N:12]=[C:13]([CH:16]([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[C:17]([N:42]2[CH2:43][CH2:44][CH2:45][C@H:41]2[C:40]([O:39][CH3:38])=[O:46])=[O:19])[NH:14][CH:15]=1)([O-:10])=[O:9] | 1 |
C(C=C)[C@]1(CC(N(CC1)[C@@H](C)C1=CC=C(C=C1)Br)=O)C1=CC=CC=C1>N(C)(C)C=O.Cl[Pd]Cl.Cl[Cu]>BrC1=CC=C(C=C1)[C@H](C)N1C(C[C@](CC1)(C1=CC=CC=C1)CC(C)=O)=O | 3 |
C(C)OC(=O)C1=C(N=C(S1)Br)C>BrN1C(CCC1=O)=O.C1=CC=CC=C1.C(C1=CC=CC=C1)(=O)OOC(C1=CC=CC=C1)=O>C(C)OC(=O)C1=C(N=C(S1)Br)CBr | 3 |
O[CH2:2][C:3]1[NH:4][C:5]([NH:8][C:9](=[O:15])[O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[N:6][N:7]=1.[NH2:16][C:17]1[CH:22]=[C:21]([Cl:23])[CH:20]=[CH:19][C:18]=1[SH:24].C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.CC(OC(/N=N/C(OC(C)(C)C)=O)=O)(C)C>C(Cl)Cl>[NH2:16][C:17]1[CH:22]=[C:21]([Cl:23])[CH:20]=[CH:19][C:18]=1[S:24][CH2:2][C:3]1[NH:4][C:5]([NH:8][C:9](=[O:15])[O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[N:6][N:7]=1 | 1 |
CC=1OC=C(N1)C(=O)O>ClCCl.C(C(=O)Cl)(=O)Cl>CC=1OC=C(N1)C(=O)Cl | 3 |
COC(=O)C1(CC(C1)CCCC)C=NOCC1=CC=CC=C1>>C(C1=CC=CC=C1)ON=CC1(CC(C1)CCCC)C(=O)O | 5 |
[N:1]1[C:9]2[C:4](=[N:5][CH:6]=[CH:7][CH:8]=2)[N:3]([C:10]2[CH:15]=[CH:14][C:13]([CH2:16][C:17]([OH:19])=O)=[CH:12][CH:11]=2)[CH:2]=1.[CH:20]([N:23]1[CH2:28][CH2:27][N:26]([CH2:29][C:30]2[CH:35]=[CH:34][C:33]([NH2:36])=[CH:32][C:31]=2[C:37]([F:40])([F:39])[F:38])[CH2:25][CH2:24]1)([CH3:22])[CH3:21]>C(Cl)Cl.CO>[N:1]1[C:9]2[C:4](=[N:5][CH:6]=[CH:7][CH:8]=2)[N:3]([C:10]2[CH:11]=[CH:12][C:13]([CH2:16][C:17]([NH:36][C:33]3[CH:34]=[CH:35][C:30]([CH2:29][N:26]4[CH2:25][CH2:24][N:23]([CH:20]([CH3:22])[CH3:21])[CH2:28][CH2:27]4)=[C:31]([C:37]([F:40])([F:39])[F:38])[CH:32]=3)=[O:19])=[CH:14][CH:15]=2)[CH:2]=1 | 1 |
[F:1][C:2]([F:22])([F:21])[C:3]1[CH:7]=[CH:6][N:5]([CH:8]2[CH2:13][CH2:12][N:11](C(OC(C)(C)C)=O)[CH2:10][CH2:9]2)[N:4]=1.FC(F)(F)C(O)=O>ClCCl>[F:22][C:2]([F:1])([F:21])[C:3]1[CH:7]=[CH:6][N:5]([CH:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[N:4]=1 | 1 |
ClC=1C=C(C=CC1Cl)C(CN(C)CC1=CC(=C(C=C1)F)OC)O>>ClC=1C=C(C=CC1Cl)C1CN(CC2=CC(=C(C=C12)F)OC)C | 5 |
[C:1]1([CH:7]2[CH2:12][CH2:11][NH:10][CH2:9][CH2:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.CC(C)([O-])C.[Na+].C1C=CC(P(C2C(C3C(P(C4C=CC=CC=4)C4C=CC=CC=4)=CC=C4C=3C=CC=C4)=C3C(C=CC=C3)=CC=2)C2C=CC=CC=2)=CC=1.Br[C:66]1[CH:71]=[CH:70][N:69]([CH2:72][CH2:73][CH2:74][CH3:75])[C:68](=[O:76])[CH:67]=1>C1(C)C=CC=CC=1.O.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[CH2:72]([N:69]1[CH:70]=[CH:71][C:66]([N:10]2[CH2:9][CH2:8][CH:7]([C:1]3[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=3)[CH2:12][CH2:11]2)=[CH:67][C:68]1=[O:76])[CH2:73][CH2:74][CH3:75] | 1 |
[C:1]([OH:9])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(N(CC)CC)C.ClC1C=CC(S(O[N:28]2[C:32]3[CH:33]=[CH:34][CH:35]=[CH:36][C:31]=3[N:30]=[N:29]2)(=O)=O)=CC=1>C(Cl)(Cl)Cl>[C:1]([O:9][N:28]1[C:32]2[CH:33]=[CH:34][CH:35]=[CH:36][C:31]=2[N:30]=[N:29]1)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
N#N.[C:3]([SiH2:7][O:8][C:9]([CH3:23])([CH3:22])[C:10]1[O:11][CH:12]=[C:13]([CH2:15][N:16]2[N:20]=[C:19]([NH2:21])[CH:18]=[N:17]2)[N:14]=1)([CH3:6])([CH3:5])[CH3:4].CCN(C(C)C)C(C)C.[CH:33]1[CH:38]=[C:37]([CH2:39][O:40][C:41](Cl)=[O:42])[C:36]([Cl:44])=[CH:35][CH:34]=1>C(Cl)Cl.O>[Cl:44][C:36]1[CH:35]=[CH:34][CH:33]=[CH:38][C:37]=1[CH2:39][O:40][C:41](=[O:42])[NH:21][C:19]1[CH:18]=[N:17][N:16]([CH2:15][C:13]2[N:14]=[C:10]([C:9]([CH3:23])([CH3:22])[O:8][SiH2:7][C:3]([CH3:6])([CH3:4])[CH3:5])[O:11][CH:12]=2)[N:20]=1 | 1 |
Br[C:2]1[CH:3]=[C:4]([NH2:8])[CH:5]=[N:6][CH:7]=1.[CH3:9][O:10][C:11]1[CH:16]=[CH:15][C:14](B(O)O)=[CH:13][CH:12]=1.C([O-])([O-])=O.[K+].[K+]>CN(C=O)C.O.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>[CH3:9][O:10][C:11]1[CH:16]=[CH:15][C:14]([C:2]2[CH:3]=[C:4]([NH2:8])[CH:5]=[N:6][CH:7]=2)=[CH:13][CH:12]=1 | 2 |
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C>CCO[H].O.NN>CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C=5C=CC=CC5)(CO4)OC(=O)C)O)C)O | 3 |
[NH2+]([O-])(=O)C(N)=S.[OH-].[Na+:8].C=O.S([O-])[O-].[Na+].[Na+].[C:16]([OH:28])(=[O:27])[CH2:17][C:18]([CH2:23][C:24]([OH:26])=[O:25])([C:20]([OH:22])=[O:21])[OH:19]>C(O)(=O)C>[C:16]([O-:28])(=[O:27])[CH2:17][C:18]([CH2:23][C:24]([O-:26])=[O:25])([C:20]([O-:22])=[O:21])[OH:19].[Na+:8].[Na+:8].[Na+:8] | 1 |
CC(CNC(OC(C)(C)C)=O)(C)C=1NC2=CC=C(C=C2C1)[N+](=O)[O-]>>NC=1C=C2C=C(NC2=CC1)C(CNC(OC(C)(C)C)=O)(C)C | 5 |
C(OC(=O)[NH:7][C:8]1[CH:13]=[CH:12][C:11]([C:14]2[CH:19]=[CH:18][C:17]([Cl:20])=[CH:16][CH:15]=2)=[CH:10][C:9]=1[NH2:21])(C)(C)C.CC1(C)O[C:28]([C:30]2[CH:31]=[C:32]([CH:35]=[CH:36][CH:37]=2)[C:33]#[N:34])=[CH:27][C:26](=[O:38])O1.C(O)(C(F)(F)F)=O>C(Cl)Cl>[Cl:20][C:17]1[CH:16]=[CH:15][C:14]([C:11]2[CH:12]=[CH:13][C:8]3[N:7]=[C:28]([C:30]4[CH:31]=[C:32]([CH:35]=[CH:36][CH:37]=4)[C:33]#[N:34])[CH2:27][C:26](=[O:38])[NH:21][C:9]=3[CH:10]=2)=[CH:19][CH:18]=1 | 1 |
C(C1=CC=CC=C1)OC(=O)N([C@@H](COCCOCC1=CC=CC=C1)C(=O)O)C>CO[H].[HH].[Pd]>OCCOC[C@H](NC)C(=O)O | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC1=C(C=C(C=C1)CC#N)Cl>>BrC1=C(C=C(CCNC(OC(C)(C)C)=O)C=C1)Cl | 5 |
CN1C(C(=CC(=C1)B1OC(C(O1)(C)C)(C)C)NC1=NC=NC=C1)=O.C(C)(=O)OCC1=C(C=C(C=C1N1CCN2C=3C4CCC(C3C=C2C1=O)C4)F)Br>>C(C)(=O)OCC1=C(C=C(C=C1N1CCN2C=3C4CCC(C3C=C2C1=O)C4)F)C4=CN(C(C(=C4)NC4=NC=NC=C4)=O)C | 5 |
[CH3:1][CH:2]([C:4]1[NH:13][C:12]2[N:11]3[CH:14]=[C:15]([C:17]([O:19][CH2:20]C)=O)[N:16]=[C:10]3[CH:9]=[CH:8][C:7]=2[C:6](=[O:22])[CH:5]=1)[CH3:3].[NH2:23][NH2:24].C(OCC)(OCC)OCC.O.C1(C)C=CC(S(O)(=O)=O)=CC=1>C(O)C.C(OCC)(=O)C>[CH3:3][CH:2]([C:4]1[NH:13][C:12]2[N:11]3[CH:14]=[C:15]([C:17]4[O:19][CH:20]=[N:23][N:24]=4)[N:16]=[C:10]3[CH:9]=[CH:8][C:7]=2[C:6](=[O:22])[CH:5]=1)[CH3:1] | 2 |
CC1=C(C=O)C=CC=C1C(F)(F)F>C1CCCO1.CC(C)(C)[S@](=O)N.[O-]CC.[Ti+4].[O-]CC.[O-]CC.[O-]CC>CC(C)(C)[S@](=O)/N=C/C1=C(C(=CC=C1)C(F)(F)F)C | 3 |
I[C:2]1[CH:7]=[CH:6][N:5]=[C:4]([O:8]C)[C:3]=1[C:10]1[NH:11][C:12]([C:16]([N:18]2[CH2:23][CH2:22][O:21][CH2:20][CH2:19]2)=[O:17])=[C:13]([CH3:15])[N:14]=1.Cl.C(N(CC)CC)C.[NH2:32][CH2:33][C@H:34]([C:36]1[CH:41]=[CH:40][CH:39]=[C:38]([Cl:42])[CH:37]=1)[OH:35]>C(O)(=O)C>[Cl:42][C:38]1[CH:37]=[C:36]([C@H:34]([OH:35])[CH2:33][NH:32][C:2]2[CH:7]=[CH:6][NH:5][C:4](=[O:8])[C:3]=2[C:10]2[NH:11][C:12]([C:16]([N:18]3[CH2:23][CH2:22][O:21][CH2:20][CH2:19]3)=[O:17])=[C:13]([CH3:15])[N:14]=2)[CH:41]=[CH:40][CH:39]=1 | 1 |
[NH2:1][CH:2]1[CH2:11][C:10]2[CH:9]=[C:8]([C:12]([O:14][CH3:15])=[O:13])[CH:7]=[CH:6][C:5]=2[CH2:4][CH2:3]1.Cl.[Cl:17][C:18]1[CH:23]=[C:22]([N+]([O-])=O)[CH:21]=[CH:20][N:19]=1.C(N(CC)C(C)C)(C)C>CCOC(C)=O.CN(C=O)C>[Cl:17][C:18]1[CH:23]=[C:22]([NH:1][CH:2]2[CH2:11][C:10]3[CH:9]=[C:8]([C:12]([O:14][CH3:15])=[O:13])[CH:7]=[CH:6][C:5]=3[CH2:4][CH2:3]2)[CH:21]=[CH:20][N:19]=1 | 2 |
ClC1=C(C=O)C=CC(=C1)OCC=1N(N=NC1C(C)C)C1=C(C=CC=C1Cl)Cl.COC(C1=CC(=CC=C1)CP(=O)(OCC)OCC)=O>C(C)OCC.[H-].[Na+]>COC(C1=CC(=CC=C1)C=CC1=C(C=C(C=C1)OCC=1N(N=NC1C(C)C)C1=C(C=CC=C1Cl)Cl)Cl)=O | 3 |
CNC=O.NC=1C(=NC(=CC1)Cl)C(=O)O>>ClC=1C=CC=2N=CN(C(C2N1)=O)C | 3 |
ICC(=O)N.O[C@H](C)[C@@H]1[C@@H]2N(C(=C([C@@H]2C)C2=CN3C(S2)=C(N=C3)C(=O)C=3C=NC=CC3)C(=O)OCC=C)C1=O>>[I-].C(N)(=O)C[N+]1=CC(=CC=C1)C(=O)C=1N=CN2C1SC(=C2)C=2[C@@H]([C@H]1N(C2C(=O)OCC=C)C([C@@H]1[C@@H](C)O)=O)C | 5 |
C(C1=CC=CC=C1)OC1=C(C=CC=C1F)B(O)O.BrC=1C=C(C[C@]2(C[C@H](CC2)NC(OC(C)(C)C)=O)C(N)=O)C=CC1F>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>C(C1=CC=CC=C1)OC1=C(C=CC=C1F)C1=CC(=CC=C1F)C[C@]1(C[C@H](CC1)NC(OC(C)(C)C)=O)C(N)=O | 3 |
C(C)S.[Na].C(C)OC=C1C(NC(S1)=O)=O>O.CCO[H]>C(C)SC=C1C(NC(S1)=O)=O | 3 |
C(C)(C)N=C=O.C(CC)N(N1C=CC2=CC(=CC=C12)O)C1=CC=NC=C1>C1CCCO1.C([O-])([O-])=O.[K+].[K+]>C(C)(C)NC(OC=1C=C2C=CN(C2=CC1)N(C1=CC=NC=C1)CCC)=O | 3 |
C1(CCCC1)O.ClC1=CC(=C2C(=[N+]1[O-])CCC2)Cl>CC(C)(C)[O-].[K+].ClCCl.CN1C(CCC1)=O>ClC1=C2C(=[N+](C(=C1)OC1CCCC1)[O-])CCC2 | 3 |
FC1=C(C=CC(=C1)F)C1=C2CC(NC2=CC=C1)=O.OC(CNC(=O)C1=C(NC(=C1)C)C=O)CN1CCCC1>>OC(CNC(=O)C1=C(NC(=C1)C)\C=C\1/C(NC2=CC=CC(=C12)C1=C(C=C(C=C1)F)F)=O)CN1CCCC1 | 5 |
BrCC#N.BrC1=CC(=C(C=C1Cl)O)F>O.C([O-])([O-])=O.[K+].[K+].CC(=O)C>BrC1=CC(=C(OCC#N)C=C1Cl)F | 3 |
ClC1=C2C(NC=N1)=NC=C2.NC1(CCNCC1)C(=O)N[C@@H](CCO)C1=CC=C(C=C1)Cl>C(C)(C)N(C(C)C)CC.C(CCC)O>NC1(CCN(CC1)C=1C2=C(N=CN1)NC=C2)C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl | 3 |
[CH3:1][O:2][C:3]([C@@H:5]([N:13]1[CH2:18][C:17]2[CH:19]=[CH:20][S:21][C:16]=2[CH2:15][CH2:14]1)[C:6]1[C:11]([Cl:12])=[CH:10][CH:9]=[CH:8][CH:7]=1)=[O:4].OS(O)(=O)=O.[CH3:27][C:28]([O:30][C:31]1[CH:32]=[CH:33][CH:34]=[CH:35][C:36]=1[C:37]([OH:39])=[O:38])=[O:29].COC([C@@H](N1CC2C=CSC=2CC1)C1C=CC=CC=1Cl)=O>C(O)C.C(Cl)Cl.C(O)C>[CH3:1][O:2][C:3]([C@@H:5]([N:13]1[CH2:18][C:17]2[CH:19]=[CH:20][S:21][C:16]=2[CH2:15][CH2:14]1)[C:6]1[CH:7]=[CH:8][CH:9]=[CH:10][C:11]=1[Cl:12])=[O:4].[CH3:27][C:28]([O:30][C:31]1[CH:32]=[CH:33][CH:34]=[CH:35][C:36]=1[C:37]([OH:39])=[O:38])=[O:29] | 2 |
COC([C:5]1[S:6][C:7]2[CH:14]=[CH:13][CH:12]=[CH:11][C:8]=2[C:9]=1[NH2:10])=O.N1CCNCC1>CN1CCCC1=O>[NH2:10][C:9]1[C:8]2[CH:11]=[CH:12][CH:13]=[CH:14][C:7]=2[S:6][CH:5]=1 | 1 |
N(=O)C1=C(NC2=CC=CC=C12)C1=CC=CC=C1>CCO[H].[OH-].[Na+].S(=O)([O-])S(=O)[O-].[Na+].[Na+]>NC1=C(NC2=CC=CC=C12)C1=CC=CC=C1 | 3 |
C(C1=CC=CC=C1)OC1=CC=C(C=C1)CC(=O)O.[Br-].NCCCC[N+](C)(C)CCNC(=O)C1=NC(=C(N=C1N)N)Cl>>[Br-].C(C1=CC=CC=C1)OC1=CC=C(C=C1)CC(=O)NCCCC[N+](C)(C)CCNC(=O)C1=NC(=C(N=C1N)N)Cl | 5 |
ClC1=C(C(=C(C=C1OC)OC)Cl)N=C=O.CNC1=NC=NC(=N1)NC1=CC=C(C=C1)N1CCN(CC1)C>C1(=CC=CC=C1)C.ClCCl.C(O)([O-])=O.[Na+]>ClC1=C(C(=C(C=C1OC)OC)Cl)NC(N(C1=NC=NC(=N1)NC1=CC=C(C=C1)N1CCN(CC1)C)C)=O | 3 |
ClC1=C(C(=NC(=N1)C)N)OC>CO[H].[HH].[Pd]>COC=1C(=NC(=NC1)C)N | 3 |
[CH:1]([N:4]1[CH2:9][CH2:8][CH:7]([S:10]([C:12]2[CH:13]=[CH:14][C:15]3[O:21][CH2:20][CH2:19][N:18]4[CH:22]=[C:23]([C:25]5[CH:30]=[CH:29][CH:28]=[CH:27][N:26]=5)[N:24]=[C:17]4[C:16]=3[CH:31]=2)=[O:11])[CH2:6][CH2:5]1)([CH3:3])[CH3:2].C(O)(C(F)(F)F)=[O:33].C1C=C(Cl)C=C(C(OO)=O)C=1>C(Cl)Cl>[CH:1]([N:4]1[CH2:9][CH2:8][CH:7]([S:10]([C:12]2[CH:13]=[CH:14][C:15]3[O:21][CH2:20][CH2:19][N:18]4[CH:22]=[C:23]([C:25]5[CH:30]=[CH:29][CH:28]=[CH:27][N:26]=5)[N:24]=[C:17]4[C:16]=3[CH:31]=2)(=[O:33])=[O:11])[CH2:6][CH2:5]1)([CH3:3])[CH3:2] | 1 |
Cl.CNC.BrCCCCOC1=CC(=C(C=C1)C1=NOC(=N1)C=1C=CC(=C(C#N)C1)OC(C)C)Cl>>ClC1=C(C=CC(=C1)OCCCCN(C)C)C1=NOC(=N1)C=1C=CC(=C(C#N)C1)OC(C)C | 5 |
[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]1[CH2:11][CH2:10][N:9]([C:12]2[CH:13]=[C:14]([CH:17]=[C:18]([C:20]([F:23])([F:22])[F:21])[CH:19]=2)[C:15]#[N:16])[CH2:8][CH2:7]1.C1N=CN([C:29](N2C=NC=C2)=[O:30])C=1.[C:36]1([N:42]2[CH2:47][CH2:46][NH:45][CH2:44][CH2:43]2)[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1>C(Cl)(Cl)Cl.CO>[C:15]([C:14]1[CH:13]=[C:12]([N:9]2[CH2:8][CH2:7][N:6]([CH2:5][CH2:4][CH2:3][CH2:2][NH:1][C:29]([N:45]3[CH2:46][CH2:47][N:42]([C:36]4[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=4)[CH2:43][CH2:44]3)=[O:30])[CH2:11][CH2:10]2)[CH:19]=[C:18]([C:20]([F:22])([F:23])[F:21])[CH:17]=1)#[N:16] | 2 |
C1(CC1)C(=O)Cl.Cl.Cl.Cl.N1CC(C1)N1CCC(CC1)S(=O)(=O)N(CC1=NC=C(C=C1)C=1OC(=NN1)C(F)F)C1=CC(=CC=C1)Cl>ClCCl.C(C)(C)N(C(C)C)CC.C(O)([O-])=O.[Na+]>ClC=1C=C(C=CC1)N(S(=O)(=O)C1CCN(CC1)C1CN(C1)C(=O)C1CC1)CC1=NC=C(C=C1)C=1OC(=NN1)C(F)F | 3 |
Cl.O1CCOCC1.[CH2:8]([N:15]1[CH2:30][CH2:29][C:18]2([CH:22]([C:23]([O:25][CH2:26][CH3:27])=[O:24])[C:21](=O)[CH2:20][CH2:19]2)[CH2:17][CH2:16]1)[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.[NH2:31][C:32]([NH2:34])=[O:33].[OH-].[Na+]>C(O)C>[CH2:8]([N:15]1[CH2:30][CH2:29][C:18]2([C:22]([C:23]([O:25][CH2:26][CH3:27])=[O:24])=[C:21]([NH:31][C:32]([NH2:34])=[O:33])[CH2:20][CH2:19]2)[CH2:17][CH2:16]1)[C:9]1[CH:10]=[CH:11][CH:12]=[CH:13][CH:14]=1 | 2 |
CC1=C(C=CC=C1)N=C=O.COC(C[C@@H](C)C1=CC=C(C=C1)CN1C=NC=C(C1=O)C1=CC=C(C=C1)N)=O>>COC(C[C@@H](C)C1=CC=C(C=C1)CN1C=NC=C(C1=O)C1=CC=C(C=C1)NC(=O)NC=1C=C(C=CC1)C)=O | 5 |
CN(C)/[CH:3]=[CH:4]/[C:5]([C:7]1[CH:12]=[CH:11][C:10]([F:13])=[C:9]([CH:14]([OH:21])[C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH:8]=1)=O.Cl.[NH2:24][C:25]([NH2:27])=[NH:26].C(=O)([O-])[O-].[K+].[K+]>C(O)C>[NH2:26][C:25]1[N:27]=[C:5]([C:7]2[CH:12]=[CH:11][C:10]([F:13])=[C:9]([CH:14]([C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3)[OH:21])[CH:8]=2)[CH:4]=[CH:3][N:24]=1 | 1 |
C(C)I.C(C(=O)O)(=O)O.N1(CCCC1)[C@H]1CC[C@H](CC1)NC(OC(C)(C)C)=O>>C(C)(C)(C)OC(N([C@@H]1CC[C@@H](CC1)N1CCCC1)CC)=O | 5 |
N1C=CC2=CC(=CC=C12)C(C(C(=O)NC=1SC=CN1)(C)C)C1=CC=CC=C1>>C(=O)C1=CNC2=CC=C(C=C12)C(C(C(=O)NC=1SC=CN1)(C)C)C1=CC=CC=C1 | 5 |
BrC1=CC=C(C(C(=O)O)=C1)O>>BrC=1C=CC(=C(C(=O)N(CC)CC)C1)O | 5 |
[C:1]1([C:7](=O)[C:8]([O-])=O)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[K+].[CH:13]1([NH2:19])[CH2:18][CH2:17][CH2:16][CH2:15][CH2:14]1.BrC1[CH:26]=[CH:25][C:24]([CH3:27])=[CH:23][CH:22]=1.N1C2C(=CC=C3C=2N=CC=C3)C=CC=1>CN1C(=O)CCC1.C1CCCCC1.[Pd+2].[Cu]Br.C1(P[C-]2C=CC=C2)C=CC=CC=1.[C-]1(PC2C=CC=CC=2)C=CC=C1.[Fe+2]>[C:1]1([C:7]([C:8]2[CH:26]=[CH:25][C:24]([CH3:27])=[CH:23][CH:22]=2)=[N:19][CH:13]2[CH2:18][CH2:17][CH2:16][CH2:15][CH2:14]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 2 |
[N:1]1([C:8]2[CH:18]=[CH:17][C:11]([C:12]([O:14][CH2:15][CH3:16])=[O:13])=[CH:10][CH:9]=2)[CH2:7][CH2:6][CH2:5][NH:4][CH2:3][CH2:2]1.C(O[C:22]1(O[Si](C)(C)C)[CH2:24][CH2:23]1)C.C(O)(=O)C.C([BH3-])#N.[Na+]>O1CCCC1.CO>[CH:22]1([N:4]2[CH2:5][CH2:6][CH2:7][N:1]([C:8]3[CH:18]=[CH:17][C:11]([C:12]([O:14][CH2:15][CH3:16])=[O:13])=[CH:10][CH:9]=3)[CH2:2][CH2:3]2)[CH2:24][CH2:23]1 | 1 |
[CH:1]1[C:13]2[CH2:12][C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]=2[CH:4]=[CH:3][CH:2]=1.C([Li])CCC.[CH2:19](Br)[CH2:20][CH2:21][CH2:22][CH2:23][CH3:24]>O1CCCC1.CCCCCC>[CH2:19]([CH:12]1[C:11]2[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=2[C:5]2[C:13]1=[CH:1][CH:2]=[CH:3][CH:4]=2)[CH2:20][CH2:21][CH2:22][CH2:23][CH3:24] | 1 |
C1(=CC=CC=C1)O>>O(C1=CC=CC=C1)C1=NC(=NC(=N1)OC1=CC=CC=C1)Cl | 5 |
[Si](C)(C)(C(C)(C)C)OCC(CO)C>ClCCl.C(C(=O)Cl)(=O)Cl.CS(=O)C.C(C)(C)N(C(C)C)CC>[Si](C)(C)(C(C)(C)C)OCC(C=O)C | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]([CH3:12])([CH3:11])[CH2:9][NH2:10])=[CH:4][CH:3]=1.[Cl:13][C:14]1[N:15]=[N:16][C:17](Cl)=[CH:18][CH:19]=1.C([O-])([O-])=O.[K+].[K+]>C(O)(C)C>[Cl:13][C:14]1[N:15]=[N:16][C:17]([NH:10][CH2:9][C:8]([C:5]2[CH:4]=[CH:3][C:2]([F:1])=[CH:7][CH:6]=2)([CH3:12])[CH3:11])=[CH:18][CH:19]=1 | 1 |
FC1=CC=C(C(=C)CBr)C=C1.C(C=C)C1(CN(CC2=C1NC=1C=CC(=CC21)C)C)C>N(C)(C)C=O.[H-].[Na+]>C(C=C)C1(CN(CC2=C1N(C=1C=CC(=CC21)C)CC(=C)C2=CC=C(C=C2)F)C)C | 3 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]2[N:13]3[CH:14]=[C:15]([C:18]4[CH:26]=[CH:25][C:21]([C:22]([OH:24])=O)=[CH:20][CH:19]=4)[CH:16]=[CH:17][C:12]3=[N:11][CH:10]=2)=[CH:5][CH:4]=1)#[N:2].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CN1CCOCC1.[NH:58]1[CH2:63][CH2:62][CH:61]([N:64]2[CH2:69][CH2:68][O:67][CH2:66][CH2:65]2)[CH2:60][CH2:59]1>CN(C=O)C.O>[O:67]1[CH2:66][CH2:65][N:64]([CH:61]2[CH2:62][CH2:63][N:58]([C:22]([C:21]3[CH:25]=[CH:26][C:18]([C:15]4[CH:16]=[CH:17][C:12]5[N:13]([C:9]([C:6]6[CH:7]=[CH:8][C:3]([C:1]#[N:2])=[CH:4][CH:5]=6)=[CH:10][N:11]=5)[CH:14]=4)=[CH:19][CH:20]=3)=[O:24])[CH2:59][CH2:60]2)[CH2:69][CH2:68]1 | 2 |
CN1N=CC(=C1)B1OC(C(O1)(C)C)(C)C.COC1=CC=C(CN(C=2C=3N(C(=C(N2)C=2C=C(C#N)C=CC2)C2=NC=NC=C2)N=C(N3)CC3=C(C=CC=C3)Cl)CC3=CC=C(C=C3)OC)C=C1>O.CO[H].C(=O)(C(F)(F)F)O.O1CCOCC1.CS(=O)C.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.O.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>NC=1C=2N(C(=C(N1)C=1C=C(C#N)C=CC1)C1=NC=NC=C1)N=C(N2)CC2=C(C=CC=C2)C=2C=NN(C2)C | 3 |
CC(C(CC#N)=O)(C)C.Cl.C(=O)(O)CC1=CC=C(C=C1)NN>CCO[H].Cl>Cl.NC1=CC(=NN1C1=CC=C(C=C1)CC(=O)O)C(C)(C)C | 3 |
FC(OC1=CC=C(C=C1)N1N=C(N=C1)C1=CC=C(C=C1)C=C)(F)F>O(O[H])[H].C1CCCO1.B1C2CCCC1CCC2>FC(OC1=CC=C(C=C1)N1N=C(N=C1)C1=CC=C(C=C1)CCO)(F)F | 3 |
[C:1]1([CH:7]2[CH2:9][CH:8]2[C:10]([OH:12])=[O:11])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[N+:13]([O-])([OH:15])=[O:14]>>[N+:13]([C:4]1[CH:5]=[CH:6][C:1]([C@@H:7]2[CH2:9][C@H:8]2[C:10]([OH:12])=[O:11])=[CH:2][CH:3]=1)([O-:15])=[O:14] | 2 |
[CH3:1][C:2]1[C:10]2[N:9]=[C:8]([CH2:11][CH2:12][CH3:13])[N:7]([CH2:14][C:15](OCC)=[O:16])[C:6]=2[CH:5]=[C:4]([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[CH:3]=1.C1COCC1>>[CH3:1][C:2]1[C:10]2[N:9]=[C:8]([CH2:11][CH2:12][CH3:13])[N:7]([CH2:14][CH2:15][OH:16])[C:6]=2[CH:5]=[C:4]([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[CH:3]=1 | 2 |
FC1=C2C=C(NC2=CC=C1)C1=C(C=CC(=N1)C=1C(=CC2=C(C(=C(O2)C2=CC=C(C=C2)F)C(=O)NC)C1)N(S(=O)(=O)C)C)C(CO)F>>FC1C=2C=CC(=NC2C=2N(C1)C=1C=CC=C(C1C2)F)C=2C(=CC1=C(C(=C(O1)C1=CC=C(C=C1)F)C(=O)NC)C2)N(S(=O)(=O)C)C | 5 |
NC1C(N(C2=C(C(=N1)C1=C(C=CC=C1)F)C=CC=C2)CC(=O)OCC)=O>C1CCCO1>C(C)OC(CN1C(C(=NC(C2=C1C=CC=C2)C2=C(C=CC=C2)F)NC(=O)NC(C)C)=O)=O | 3 |
BrCCC(C)C.BrC[C@@H](CO)C>C1CCCO1.[Mg].II.[Cl-].[Li+].[Cu](Cl)Cl>C[C@@H](CO)CCCC(C)C | 3 |
ClCC(CC(=O)OCC)=O.BrC1=C(C=C(O)C=C1)O>S(O)(O)(=O)=O>BrC=1C=C2C(CC(OC2=CC1O)=O)CCl | 3 |
[N+](=O)([O-])C=1C=C(CNCC(=O)OC(C)(C)C)C=CC1>>FC(C(=O)N(CC1=CC(=CC=C1)[N+](=O)[O-])CC(=O)OC(C)(C)C)(F)F | 5 |
C(CCCCCCC)O.C(C)(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O>O.C(Cl)(Cl)(Cl)[H].c1cnc[nH]1.CCN(CC)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)N[C@@H](CC1=CC=CC=C1)C(=O)OCCCCCCCC | 3 |
CNN.FC1=C(C=CC(=C1)F)[C@@]12N=C(SC[C@@H]1C[C@@H](OC2)C(C(OC)OC)C(OC)OC)NC(C2=CC=CC=C2)=O>>FC1=C(C=CC(=C1)F)[C@@]12N=C(SC[C@@H]1C[C@@H](OC2)C=2C=NN(C2)C)N | 5 |
FC1=C(C=CC(=C1)F)COC1=C(C=CC=C1)[N+](=O)[O-]>O.[Fe].CCO[H].[Cl-].[NH4+]>FC1=C(COC2=C(N)C=CC=C2)C=CC(=C1)F | 3 |
FC(C1=CC=C(C=N1)B(O)O)(F)F.ClC1=NC2=NC(=C(N=C2C(=N1)Cl)C)C>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.CS(=O)(=O)O[Pd]c1ccccc1-c2ccccc2N.CC(C)Oc3cccc(OC(C)C)c3-c4ccccc4P(C5CCCCC5)C6CCCCC6>ClC1=NC2=NC(=C(N=C2C(=N1)C=1C=NC(=CC1)C(F)(F)F)C)C | 3 |
O[C@@H]1N(C2=C(C(N3[C@H]1CC(C3)=C)=O)C=C(C(=C2)OCCCCCOC2=CC3=C(C(N1[C@H]([C@@H](N3C(=O)OCCSSC3=NC=CC=C3)O)CC(C1)=C)=O)C=C2OC)OC)C(=O)OC(C)(C)C>>O[C@@H]1N(C2=C(C(N3[C@H]1CC(C3)=C)=O)C=C(C(=C2)OCCCCCOC2=CC3=C(C(N1[C@H](C=N3)CC(C1)=C)=O)C=C2OC)OC)C(=O)OCCSSC2=NC=CC=C2 | 5 |
[Br:1][C:2]1[C:11]2[CH2:10][CH2:9][CH:8]([C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=3)[CH2:7][C:6]=2[C:5]([NH2:18])=[N:4][CH:3]=1.[Cl:19][CH2:20][C:21](=O)[CH3:22]>C1COCC1>[ClH:19].[Br:1][C:2]1[C:11]2[CH2:10][CH2:9][CH:8]([C:12]3[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=3)[CH2:7][C:6]=2[C:5]2=[N:18][C:21]([CH3:22])=[CH:20][N:4]2[CH:3]=1 | 2 |
[OH:1][C:2]1[C:11]2[C:6](=[CH:7][C:8]([C:20]([F:23])([F:22])[F:21])=[C:9]([S:12][CH2:13][C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)[CH:10]=2)[N:5]=[CH:4][C:3]=1[C:24]([OH:26])=O.CN(C)C=O.C(N1C=CN=C1)(N1C=CN=C1)=O.[Cl:44][C:45]1[CH:52]=[CH:51][C:48]([CH2:49][NH2:50])=[CH:47][CH:46]=1>O>[Cl:44][C:45]1[CH:52]=[CH:51][C:48]([CH2:49][NH:50][C:24]([C:3]2[CH:4]=[N:5][C:6]3[C:11]([C:2]=2[OH:1])=[CH:10][C:9]([S:12][CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)=[C:8]([C:20]([F:21])([F:22])[F:23])[CH:7]=3)=[O:26])=[CH:47][CH:46]=1 | 1 |
[OH:1][C:2]1[CH:6]=[C:5]([C@@H:7]([OH:9])[CH3:8])[NH:4][N:3]=1.[C:10]1([CH3:20])[CH:15]=[CH:14][C:13]([S:16](Cl)(=[O:18])=[O:17])=[CH:12][CH:11]=1.C(N(CC)CC)C>ClCCl>[OH:9][C@H:7]([C:5]1[NH:4][N:3]=[C:2]([O:1][S:16]([C:13]2[CH:14]=[CH:15][C:10]([CH3:20])=[CH:11][CH:12]=2)(=[O:18])=[O:17])[CH:6]=1)[CH3:8] | 1 |
ClC1=C(CBr)C(=CC=C1)Cl.OC=1C(=C2CCC(C2=CC1)=O)C>CC#N.C([O-])([O-])=O.[K+].[K+]>ClC1=C(COC=2C(=C3CCC(C3=CC2)=O)C)C(=CC=C1)Cl | 3 |
[F:1][C:2]1[C:10]([F:11])=[CH:9][CH:8]=[C:7]2[C:3]=1[CH2:4][CH2:5][C@@H:6]2[OH:12].[CH3:13][O:14][C:15](=[O:27])[CH2:16][C@H:17]1[C:21]2[CH:22]=[CH:23][C:24](O)=[CH:25][C:20]=2[O:19][CH2:18]1>>[CH3:13][O:14][C:15](=[O:27])[CH2:16][C@H:17]1[C:21]2[CH:22]=[CH:23][C:24]([O:12][C@H:6]3[C:7]4[C:3](=[C:2]([F:1])[C:10]([F:11])=[CH:9][CH:8]=4)[CH2:4][CH2:5]3)=[CH:25][C:20]=2[O:19][CH2:18]1 | 2 |
[Cl:1][C:2]1[C:7]([N+:8]([O-:10])=[O:9])=[CH:6][CH:5]=[C:4]([Cl:11])[C:3]=1[S:12](Cl)(=[O:14])=[O:13].[NH:16]1[CH2:20][CH2:19][CH2:18][CH2:17]1.C([N:23](CC)CC)C>>[N:16]1([C:6]2[CH:5]=[C:4]([Cl:11])[C:3]([S:12]([NH2:23])(=[O:14])=[O:13])=[C:2]([Cl:1])[C:7]=2[N+:8]([O-:10])=[O:9])[CH2:20][CH2:19][CH2:18][CH2:17]1 | 1 |
[CH2:1]([NH:3][C:4](=[O:36])[NH:5][C:6]1[CH:11]=[CH:10][C:9]([C:12]2[N:13]=[C:14]([N:29]3[CH2:34][CH2:33][O:32][CH2:31][C@@H:30]3[CH3:35])[C:15]3[CH2:21][CH2:20][N:19](C(OC(C)(C)C)=O)[CH2:18][C:16]=3[N:17]=2)=[CH:8][CH:7]=1)[CH3:2].[C:37]([OH:43])([C:39]([F:42])([F:41])[F:40])=[O:38]>C(Cl)Cl>[F:40][C:39]([F:42])([F:41])[C:37]([OH:43])=[O:38].[CH2:1]([NH:3][C:4]([NH:5][C:6]1[CH:7]=[CH:8][C:9]([C:12]2[N:13]=[C:14]([N:29]3[CH2:34][CH2:33][O:32][CH2:31][C@@H:30]3[CH3:35])[C:15]3[CH2:21][CH2:20][NH:19][CH2:18][C:16]=3[N:17]=2)=[CH:10][CH:11]=1)=[O:36])[CH3:2] | 1 |
N#CN.ClC1=C(C=C(OC2=CC=C(C=C2)CCO)C=C1)C(F)(F)F>>OS(=O)(=O)C(F)(F)F.C(N)(OCCC1=CC=C(C=C1)OC1=CC(=C(C=C1)Cl)C(F)(F)F)=N | 5 |
[F:1][C:2]([F:13])([F:12])[O:3][C:4]1[CH:5]=[C:6]([CH2:10][NH2:11])[CH:7]=[CH:8][CH:9]=1.[F:14][C:15]([F:20])([F:19])[CH:16]1[O:18][CH2:17]1>>[F:1][C:2]([F:12])([F:13])[O:3][C:4]1[CH:5]=[C:6]([CH2:10][NH:11][C:16]([OH:18])([CH3:17])[C:15]([F:20])([F:19])[F:14])[CH:7]=[CH:8][CH:9]=1 | 1 |
[F:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[C:5]#[N:6].[N+:10]([O-])([O-:12])=[O:11].[K+].S(=O)(=O)(O)O>C(Cl)Cl>[F:1][C:2]1[CH:9]=[CH:8][C:7]([N+:10]([O-:12])=[O:11])=[C:4]([CH:3]=1)[C:5]#[N:6] | 1 |
C(C)(C)(C)C1=NN(C(=C1)OCC1=CC=C(C=C1)C(=O)OC)CC1=CC=C(C(=O)OC)C=C1>C1CCCO1.[HH].[Pd]>C(C)(C)(C)C1=NN(C(C1)=O)CC1=CC=C(C(=O)OC)C=C1 | 3 |
[NH:1](C(OC(C)(C)C)=O)[C@H:2]([C:13]([N:15]1[CH2:109][CH2:108][CH2:107][C@H:16]1[C:17]([NH:19][C@H:20]([C:26]([NH:28][C@H:29]([C:40]([NH:42][C@H:43]([C:48]([NH:50][C@H:51]([C:62]([NH:64][CH2:65][C:66]([NH:68][C@H:69]([C:79]([NH:81][CH2:82][C:83]([NH:85][C@H:86]([C:97]([N:99]1[CH2:106][CH2:105][CH2:104][C@H:100]1[C:101]([NH2:103])=[O:102])=[O:98])[C@@H:87]([CH3:96])[O:88][CH2:89][C:90]1[CH:95]=[CH:94][CH:93]=[CH:92][CH:91]=1)=[O:84])=[O:80])[CH2:70][O:71][CH2:72][C:73]1[CH:78]=[CH:77][CH:76]=[CH:75][CH:74]=1)=[O:67])=[O:63])[C@@H:52]([CH3:61])[O:53][CH2:54][C:55]1[CH:60]=[CH:59][CH:58]=[CH:57][CH:56]=1)=[O:49])[CH2:44][C:45](=[O:47])[NH2:46])=[O:41])[C@@H:30]([CH3:39])[O:31][CH2:32][C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)=[O:27])[CH2:21][CH2:22][C:23](=[O:25])[NH2:24])=[O:18])=[O:14])[C@@H:3]([CH3:12])[O:4][CH2:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1.[NH:117]([C:136]([O:138][C:139]([CH3:142])([CH3:141])[CH3:140])=[O:137])[C@H:118]([C:124](OC1C=CC([N+]([O-])=O)=CC=1)=[O:125])[CH2:119][CH2:120][C:121](=[O:123])[NH2:122]>>[NH:117]([C:136]([O:138][C:139]([CH3:142])([CH3:141])[CH3:140])=[O:137])[C@H:118]([C:124]([NH:1][C@H:2]([C:13]([N:15]1[CH2:109][CH2:108][CH2:107][C@H:16]1[C:17]([NH:19][C@H:20]([C:26]([NH:28][C@H:29]([C:40]([NH:42][C@H:43]([C:48]([NH:50][C@H:51]([C:62]([NH:64][CH2:65][C:66]([NH:68][C@H:69]([C:79]([NH:81][CH2:82][C:83]([NH:85][C@H:86]([C:97]([N:99]1[CH2:106][CH2:105][CH2:104][C@H:100]1[C:101]([NH2:103])=[O:102])=[O:98])[C@@H:87]([CH3:96])[O:88][CH2:89][C:90]1[CH:91]=[CH:92][CH:93]=[CH:94][CH:95]=1)=[O:84])=[O:80])[CH2:70][O:71][CH2:72][C:73]1[CH:74]=[CH:75][CH:76]=[CH:77][CH:78]=1)=[O:67])=[O:63])[C@@H:52]([CH3:61])[O:53][CH2:54][C:55]1[CH:60]=[CH:59][CH:58]=[CH:57][CH:56]=1)=[O:49])[CH2:44][C:45](=[O:47])[NH2:46])=[O:41])[C@@H:30]([CH3:39])[O:31][CH2:32][C:33]1[CH:34]=[CH:35][CH:36]=[CH:37][CH:38]=1)=[O:27])[CH2:21][CH2:22][C:23](=[O:25])[NH2:24])=[O:18])=[O:14])[C@@H:3]([CH3:12])[O:4][CH2:5][C:6]1[CH:7]=[CH:8][CH:9]=[CH:10][CH:11]=1)=[O:125])[CH2:119][CH2:120][C:121](=[O:123])[NH2:122] | 1 |
C([O:3][C:4]([C:6]1[O:10][N:9]=[C:8]([C:11]2[CH:16]=[CH:15][C:14]([NH:17][C:18]([NH:20][CH:21]3[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]3)=[O:19])=[CH:13][CH:12]=2)[CH:7]=1)=[O:5])C.[K+].[Br-]>>[CH:21]1([NH:20][C:18](=[O:19])[NH:17][C:14]2[CH:13]=[CH:12][C:11]([C:8]3[CH:7]=[C:6]([C:4]([OH:5])=[O:3])[O:10][N:9]=3)=[CH:16][CH:15]=2)[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1 | 1 |
[Cl:1][C:2]1[CH:3]=[N:4][CH:5]=[C:6]([Cl:20])[C:7]=1[S:8][C:9]1[S:13][C:12]([C:14]([OH:16])=O)=[CH:11][C:10]=1[N+:17]([O-:19])=[O:18].[N:21]1([CH2:27][CH2:28][OH:29])[CH2:26][CH2:25][NH:24][CH2:23][CH2:22]1>>[Cl:20][C:6]1[CH:5]=[N:4][CH:3]=[C:2]([Cl:1])[C:7]=1[S:8][C:9]1[S:13][C:12]([C:14]([N:24]2[CH2:25][CH2:26][N:21]([CH2:27][CH2:28][OH:29])[CH2:22][CH2:23]2)=[O:16])=[CH:11][C:10]=1[N+:17]([O-:19])=[O:18] | 1 |
C(C)(C)(C)OC(=O)N1CC(C(CC1)=O)(C)C>[Na+].[BH4-].N>NC1C(CN(CC1)C(=O)OC(C)(C)C)(C)C | 3 |
Cl.N1CCC(CC1)N1C(OCC1)=O.ClC1=C(N=C2N1C=C(C=C2C(F)(F)F)CCC)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>ClC1=C(N=C2N1C=C(C=C2C(F)(F)F)CCC)C(=O)N2CCC(CC2)N2C(OCC2)=O | 3 |
BrC1=CC=C(C=C1)CC.NC1=NC=CC=C1C1=CC=C(C=C1)O>[Cu]I.C1=CC=NC(=C1)C(=O)O[H].CS(=O)C.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C(C)C1=CC=C(OC2=CC=C(C=C2)C=2C(=NC=CC2)N)C=C1 | 3 |
S(=O)(=O)(OC)OC.BrC=1C=C(C=CC1C)O>O.ClCCl.[OH-].[Na+].N.[Cl-].C(C)[N+](CC1=CC=CC=C1)(CC)CC>BrC=1C=C(C=CC1C)OC | 3 |
[N+:1]([C:4]1[CH:5]=[C:6]([C:10]2[C:18]([C:19]3[CH:24]=[CH:23][N:22]=[C:21]([NH:25][C:26]4[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=4)[N:20]=3)=[C:13]3[CH:14]=[CH:15][CH:16]=[CH:17][N:12]3[N:11]=2)[CH:7]=[CH:8][CH:9]=1)([O-])=O.[S-2].[Na+].[Na+]>O1CCOCC1.O>[NH2:1][C:4]1[CH:5]=[C:6]([C:10]2[C:18]([C:19]3[CH:24]=[CH:23][N:22]=[C:21]([NH:25][C:26]4[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=4)[N:20]=3)=[C:13]3[CH:14]=[CH:15][CH:16]=[CH:17][N:12]3[N:11]=2)[CH:7]=[CH:8][CH:9]=1 | 1 |
[C:1]([C:5]1[CH:12]=[CH:11][C:8]([C:9]#N)=[CH:7][N:6]=1)([CH3:4])([CH3:3])[CH3:2].[OH-:13].[Na+].[OH2:15]>Cl.C(OCC)(=O)C>[C:1]([C:5]1[CH:12]=[CH:11][C:8]([C:9]([OH:15])=[O:13])=[CH:7][N:6]=1)([CH3:4])([CH3:3])[CH3:2] | 2 |
O1CCCC=C1.OCCC=1C=C(C=CC1)Br>ClCCl.C1(=CC=C(C=C1)S(=O)(=O)O)C>OCCC=1C=C(C(=O)OC(C)C)C=CC1 | 3 |
SC1=NC2=C(N1)C=CC(=C2)C(=O)O.BrCCCOC1=C(C(=C(C=C1)C(C)=O)O)CCC>CCO[H].Cl.[OH-].[K+]>C(C)(=O)C1=C(C(=C(OCCCSC=2NC3=C(N2)C=CC(=C3)C(=O)O)C=C1)CCC)O | 3 |
[CH3:1][C:2]1[NH:3][C:4]([CH3:27])=[C:5]([C:22]([O:24][CH2:25][CH3:26])=[O:23])[CH:6]([C:13]2[CH:18]=[CH:17][CH:16]=[C:15]([N+:19]([O-:21])=[O:20])[CH:14]=2)[C:7]=1[C:8]([O:10][CH2:11][CH3:12])=[O:9].[H-].[Na+].Cl[CH:31]([O:33][CH2:34][CH3:35])[CH3:32]>O1CCCC1>[CH2:31]([O:33][CH:34]([N:3]1[C:4]([CH3:27])=[C:5]([C:22]([O:24][CH2:25][CH3:26])=[O:23])[CH:6]([C:13]2[CH:18]=[CH:17][CH:16]=[C:15]([N+:19]([O-:21])=[O:20])[CH:14]=2)[C:7]([C:8]([O:10][CH2:11][CH3:12])=[O:9])=[C:2]1[CH3:1])[CH3:35])[CH3:32] | 1 |
COCC(=O)O.COC(CCO)(C)C>>COCC(=O)OCCC(C)(C)OC | 5 |
[O:1]1[CH2:6][C:5](=S)[NH:4][C:3](=[O:8])[NH:2]1.[NH:9]1[CH2:14][CH2:13][O:12][CH2:11][CH2:10]1>>[N:9]1([C:5]2[CH2:6][O:1][NH:2][C:3](=[O:8])[N:4]=2)[CH2:14][CH2:13][O:12][CH2:11][CH2:10]1 | 1 |
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