smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[CH2:1]([N:3]1[C:7]2=[N:8][C:9]([CH2:32][CH3:33])=[C:10]([CH2:19][NH:20][C:21]([C:23]3[N:28]=[C:27]([C:29](O)=[O:30])[CH:26]=[CH:25][CH:24]=3)=[O:22])[C:11]([NH:12][CH:13]3[CH2:18][CH2:17][O:16][CH2:15][CH2:14]3)=[C:6]2[CH:5]=[N:4]1)[CH3:2].[NH2:34][CH2:35][C:36]1[CH:37]=[C:38]([C:42]2[CH:47]=[CH:46][CH:45]=[C:44]([CH2:48][CH:49]3CCN(C(OC(C)(C)C)=O)CC3)[CH:43]=2)[CH:39]=[CH:40][CH:41]=1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CC[N:88]([CH2:91][CH3:92])[CH2:89][CH3:90]>C(Cl)Cl.C(O)(C(F)(F)F)=O>[CH2:1]([N:3]1[C:7]2=[N:8][C:9]([CH2:32][CH3:33])=[C:10]([CH2:19][NH:20][C:21]([C:23]3[CH:24]=[CH:25][CH:26]=[C:27]([C:29]([NH:34][CH2:35][C:36]4[CH:37]=[C:38]([C:42]5[CH:47]=[CH:46][CH:45]=[C:44]([CH2:48][CH:49]6[CH2:90][CH2:89][NH:88][CH2:91][CH2:92]6)[CH:43]=5)[CH:39]=[CH:40][CH:41]=4)=[O:30])[N:28]=3)=[O:22])[C:11]([NH:12][CH:13]3[CH2:18][CH2:17][O:16][CH2:15][CH2:14]3)=[C:6]2[CH:5]=[N:4]1)[CH3:2] | 1 |
CC=1C=C2C(C[C@@H](OC2=CC1)C=1C=C(C(=O)OC)C=CC1)=O>CO[H].Cl.NO.C(C)(=O)[O-].[Na+]>ON=C1C[C@@H](OC2=CC=C(C=C12)C)C=1C=C(C(=O)OC)C=CC1 | 3 |
CC(C)(C)N1N=C(N=N1)CC1=CC=C(C=C1)CO>C(C)OCC.c3c(P(c1ccccc1)c2ccccc2)cccc3.C(Br)(Br)(Br)Br>BrCC1=CC=C(C=C1)CC=1N=NN(N1)C(C)(C)C | 3 |
[N:1]([CH2:4][CH:5]1[O:12][C@@H:11]2[C@@H:7]([O:8][C@H:9]([CH2:14][OH:15])[C@H:10]2[OH:13])[CH2:6]1)=[N+:2]=[N-:3].[CH2:16](Br)[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1.[H-].[Na+]>CN(C=O)C>[N:1]([CH2:4][CH:5]1[O:12][C@@H:11]2[C@@H:7]([O:8][C@H:9]([CH2:14][O:15][CH2:16][C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)[C@H:10]2[O:13][CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[CH2:6]1)=[N+:2]=[N-:3] | 2 |
CN1C(C(=CC2=CN=C(C=C12)C)C1=C(C=CC(=C1)N/C(=C/C(C=1SC=CN1)=O)/SC)C)=O>C([O-])([O-])=O.[K+].[K+].O1CCOCC1.NOC1OCCCC1>CN1C(C(=CC2=CN=C(C=C12)C)C1=C(C=CC(=C1)NC1=NOC(=C1)C=1SC=CN1)C)=O | 3 |
FC=1C=CC(=C(C1)N(C(C)=O)CC1=C(C=CC(=C1)OC)OCCOC1OCCCC1)OC1=CC=CC=C1>CO[H]>FC=1C=CC(=C(C1)N(C(C)=O)CC1=C(C=CC(=C1)OC)OCCO)OC1=CC=CC=C1 | 3 |
ClC(=CC1C(C1C(=O)OC)(C)C)Cl>ClCCl.C(=O)(C(F)(F)F)O>ClC(=CC1C(C1C(=O)O)(C)C)Cl | 3 |
Cl[CH:2]([CH3:4])[CH3:3].[Mg].[C:6]1([C:12]2[NH:13][C:14]([CH3:19])=[C:15]([CH:17]=[O:18])[N:16]=2)[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1>C1COCC1>[C:6]1([C:12]2[NH:13][C:14]([CH3:19])=[C:15]([CH:17]([OH:18])[CH:2]([CH3:4])[CH3:3])[N:16]=2)[CH:7]=[CH:8][CH:9]=[CH:10][CH:11]=1 | 1 |
Cl.[C:2]([O:6][C:7]([NH:9][CH:10]1[CH2:15][CH2:14][N:13]([CH:16]2[CH2:21][CH:20]([C:22]3[CH:27]=[CH:26][C:25]([F:28])=[CH:24][CH:23]=3)[CH:19]([C:29]([O:31][CH3:32])=[O:30])[NH:18][CH2:17]2)[CH2:12][CH2:11]1)=[O:8])([CH3:5])([CH3:4])[CH3:3].[C:33](Cl)(=[O:42])[O:34][CH2:35][C:36]1[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1>C(Cl)Cl>[C:2]([O:6][C:7]([NH:9][CH:10]1[CH2:11][CH2:12][N:13]([CH:16]2[CH2:21][CH:20]([C:22]3[CH:23]=[CH:24][C:25]([F:28])=[CH:26][CH:27]=3)[CH:19]([C:29]([O:31][CH3:32])=[O:30])[N:18]([C:33]([O:34][CH2:35][C:36]3[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=3)=[O:42])[CH2:17]2)[CH2:14][CH2:15]1)=[O:8])([CH3:5])([CH3:4])[CH3:3] | 2 |
[S-]C#N.[K+].CC=1C=C(N)C=CC1[N+](=O)[O-]>BrBr.C(C)(=O)O>CC1=C(C=CC=2N=C(SC21)N)[N+](=O)[O-] | 3 |
[Br-].C1([C:8]([PH3+])([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)C2C=CC=CC=2)C=CC=CC=1.CC(C)([O-])C.[K+].O=C1CCC([NH:35][C:36](=[O:42])[O:37][C:38]([CH3:41])([CH3:40])[CH3:39])CC1.O>O1CCCC1>[CH2:8]=[C:15]1[CH2:16][CH2:17][CH:18]([NH:35][C:36](=[O:42])[O:37][C:38]([CH3:41])([CH3:40])[CH3:39])[CH2:19][CH2:20]1 | 1 |
O=C1NC(C2=C(N1)C=CC(=N2)C)=O>C(C)(=O)O>C(C)(=O)OCC=1C=CC=2NC(NC(C2N1)=O)=O | 3 |
NC1=NC(=C(C(=N1)Cl)N)Cl>C(C)(=O)OC(C)=O.C(=O)O>ClC1=NC(=NC(=C1NC=O)Cl)NC=O | 3 |
FC(S(=O)(=O)OC1=C(CC[C@@]23[C@]4(OC=5C=CC(=CC5[C@]21C([C@@H]3CC4)(C)C)OC)C)C=O)(F)F>C1CCCO1.CCN(CC)CC.C(C)(=O)OCC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(O)([O-])=O.[Na+].C(=O)[O-].[Na+]>COC1=CC=2[C@]34[C@]5([C@@](OC2C=C1)(CC[C@H]5C4(C)C)C)CCC(=C3)C=O | 3 |
C(C)(C)(C)OC(NC=1C(=NC=CC1C=1C(=NC=C(C1)F)F)C1CCC(CC1)(F)F)=O>Cl.O1CCOCC1.C(C)(C)N(C(C)C)CC>FC1(CCC(CC1)C1=NC=CC(=C1N)C=1C(=NC=C(C1)F)F)F | 3 |
[Cl:1][C:2]1[CH:10]=[C:9]2[C:5]([CH:6]=[C:7]([C:13]([NH:15][CH:16]([C:21]3[CH:26]=[CH:25][CH:24]=[C:23]([C:27]([F:30])([F:29])[F:28])[CH:22]=3)[C:17]([F:20])([F:19])[F:18])=[O:14])[N:8]2[CH2:11][CH3:12])=[CH:4][C:3]=1[C:31]([NH:33][C:34]1([C:37]#[N:38])[CH2:36][CH2:35]1)=[O:32].COC1C=CC(P2(=S)SP(=S)(C3C=CC(OC)=CC=3)[S:48]2)=CC=1>O1CCCC1.C(OCC)(=O)C>[C:37]([C:34]1([NH:33][C:31]([C:3]2[CH:4]=[C:5]3[C:9](=[CH:10][C:2]=2[Cl:1])[N:8]([CH2:11][CH3:12])[C:7]([C:13]([NH:15][CH:16]([C:21]2[CH:26]=[CH:25][CH:24]=[C:23]([C:27]([F:30])([F:28])[F:29])[CH:22]=2)[C:17]([F:18])([F:20])[F:19])=[O:14])=[CH:6]3)=[O:32])[CH2:35][CH2:36]1)(=[S:48])[NH2:38] | 1 |
COC(C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=O.C(C1=CC=CC=C1)OC(=O)C12CCC(CC1)(CC2)C=O>C1CCCO1>C(C1=CC=CC=C1)OC(=O)[C@@]12CC[C@](CC1)(CC2)C=CC(=O)OC | 3 |
CC1(OC[C@H](O1)C(=O)OC)C>O1CCOCC1.[OH-].[Li+]>CC1(OC[C@H](O1)C(=O)O)C | 3 |
CN(C1(CCC(CC1)CNC(=O)NCCCC1=CC=CC=C1)C1=CC=CC=C1)C>C(C)OCC.CC(=O)C.Cl[Si](C)(C)C.C(C)C(=O)C>Cl.CN(C1(CCC(CC1)CNC(=O)NCCCC1=CC=CC=C1)C1=CC=CC=C1)C | 3 |
C1(=CC=CC=C1)B(O)O.BrC1=C(SC2=C1C(=CC(=C2)F)F)C(=O)OCC>O.O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)([O-])[O-].[Cs+].[Cs+]>FC1=CC(=CC2=C1C(=C(S2)C(=O)OCC)C2=CC=CC=C2)F | 3 |
[OH-].[K+].[N+:3]([C:6]1[CH:14]=[CH:13][CH:12]=[C:11]2[C:7]=1[CH:8]=[N:9][NH:10]2)([O-:5])=[O:4].[I:15]I>CN(C=O)C>[I:15][C:8]1[C:7]2[C:11](=[CH:12][CH:13]=[CH:14][C:6]=2[N+:3]([O-:5])=[O:4])[NH:10][N:9]=1 | 2 |
C(=O)([O-])O.[Na+].Br.[S:7]1[CH:11]=[CH:10][C:9]2[CH:12]=[C:13]([C:16]3[N:17]4[CH2:23][CH2:22][N:21]=[C:18]4[S:19][CH:20]=3)[CH:14]=[CH:15][C:8]1=2>ClCCl>[S:7]1[CH:11]=[CH:10][C:9]2[CH:12]=[C:13]([C:16]3[N:17]4[CH2:23][CH2:22][N:21]=[C:18]4[S:19][CH:20]=3)[CH:14]=[CH:15][C:8]1=2 | 1 |
[OH-].[Na+].[F:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[CH:10]([C:15]([O:17]C)=[O:16])[C:11]([O:13]C)=[O:12].Cl>[Cl-].C[N+](C)(C)C.O>[F:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[CH:10]([C:11]([OH:13])=[O:12])[C:15]([OH:17])=[O:16] | 1 |
C([NH:4][C:5]1[CH:17]=[CH:16][N:8]([C@@H:9]2[O:15][C@H:12]([CH2:13][OH:14])[CH:11]=[CH:10]2)[C:7](=[O:18])[N:6]=1)(=O)C.N>CO>[C@@H:9]1([N:8]2[CH:16]=[CH:17][C:5]([NH2:4])=[N:6][C:7]2=[O:18])[O:15][C@H:12]([CH2:13][OH:14])[CH:11]=[CH:10]1 | 1 |
C(C)OC(C1=C(N=CC(=C1)F)OC1=CC(=CC=C1)SCC)=O>>C(C)SC=1C=C(OC2=C(C(=O)O)C=C(C=N2)F)C=CC1 | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.[Cl-].COC(CC1=CC=C(C=N1)C[NH3+])=O>>C(C)(C)(C)OC(=O)NCC=1C=CC(=NC1)CC(=O)OC | 5 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[N:9]1[CH2:14][CH2:13][N:12]([CH2:15][CH2:16][C:17]([O:19]CC)=O)[CH2:11][CH2:10]1.O.[NH2:23][NH2:24]>C(O)C>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[N:9]1[CH2:14][CH2:13][N:12]([CH2:15][CH2:16][C:17]([NH:23][NH2:24])=[O:19])[CH2:11][CH2:10]1 | 1 |
[CH2:1]([O:3][C:4](=[O:19])[CH2:5][C@@H:6]([NH:10][C:11]1[C:16]([NH2:17])=[CH:15][CH:14]=[C:13]([CH3:18])[N:12]=1)[CH2:7][CH2:8][CH3:9])[CH3:2].C1C[O:23][CH2:22]C1>>[CH2:1]([O:3][C:4](=[O:19])[CH2:5][C@@H:6]([N:10]1[C:11]2=[N:12][C:13]([CH3:18])=[CH:14][CH:15]=[C:16]2[NH:17][C:22]1=[O:23])[CH2:7][CH2:8][CH3:9])[CH3:2] | 1 |
OC1=C(C=CC(=C1C)O)C(C)=O>C([O-])([O-])=O.[K+].[K+].[OH-].[K+].C(C)C(=O)C>OC1=C(C=CC(=C1C)OCOC)C(C)=O | 3 |
CCCC[N+](CCCC)(CCCC)CCCC.[F-].C([Si](C)(C)[O:24][CH2:25][CH2:26][O:27][CH:28]1[CH2:33][O:32][CH:31]([C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=2)[O:30][CH2:29]1)(C)(C)C.[Cl-].[NH4+]>C1COCC1>[C:34]1([CH:31]2[O:32][CH2:33][CH:28]([O:27][CH2:26][CH2:25][OH:24])[CH2:29][O:30]2)[CH:35]=[CH:36][CH:37]=[CH:38][CH:39]=1 | 1 |
[F:1][C:2]([F:10])([F:9])[C:3]([NH:5][CH2:6][C:7]#[CH:8])=[O:4].Br[C:12]1[CH:17]=[CH:16][CH:15]=[C:14]([N+:18]([O-:20])=[O:19])[CH:13]=1>C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.[Cu]I.C(N(CC)CC)C>[F:1][C:2]([F:10])([F:9])[C:3]([NH:5][CH2:6][C:7]#[C:8][C:12]1[CH:17]=[CH:16][CH:15]=[C:14]([N+:18]([O-:20])=[O:19])[CH:13]=1)=[O:4] | 1 |
CS(=O)(=O)Cl.C(C)C(C(O)C1=NC=NN1CC1=CC=C(C=C1)F)CC>>CS(=O)(=O)OC(C(CC)CC)C1=NC=NN1CC1=CC=C(C=C1)F | 5 |
C(CCCCCCC)C=1C=C2C=CNC2=CC1>>C(CCCCCCC)C=1C=C2CCNC2=CC1 | 5 |
ClC1=C(N(C2=CC(=C3C(NC(C3=C12)=O)=O)C1=C(C=CC=C1)Cl)CCCO)C=O>>ClC1=C(N(C2=CC(=C3C(NC(C3=C12)=O)=O)C1=C(C=CC=C1)Cl)CCCO)CO | 5 |
CN.O[C@H]1[C@@H](C2=CC=CC=C2C1)NC=1C=2N(C=C(C1)C(=O)O)C(=C(N2)C)C>ClCCl.C(O)([O-])=O.[Na+].CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.[B-](F)(F)(F)F>O[C@H]1[C@@H](C2=CC=CC=C2C1)NC=1C=2N(C=C(C1)C(=O)NC)C(=C(N2)C)C | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)OC1=C(C=CC=C1)N(CCCCCC)C(C)=O>C(=O)(C(F)(F)F)O>C(C)(=O)N(CCCCCC)C1=C(C=CC=C1)OC1CCNCC1 | 3 |
C(C)OC(C(=CNC1=CC(=CC=C1)CN1CCCCC1)C(C1=C(C(=C(C(=C1)F)F)Cl)F)=O)=O>C1CCCO1.C([O-])([O-])=O.[K+].[K+].C1COCCOCCOCCOCCOCCO1>ClC=1C(=C(C=C2C(C(=CN(C12)C1=CC(=CC=C1)CN1CCCCC1)C(=O)OCC)=O)F)F | 3 |
[ClH:1].[S:2]1[C:6]([N:7]([CH3:16])[C:8]([CH:10]2[CH:15]3[CH:11]2[CH2:12][NH:13][CH2:14]3)=[O:9])=[CH:5][CH:4]=[N:3]1.C(N(CC)CC)C.[CH3:24][C:25]1[C:33]2[CH2:32][O:31][C:30](=[O:34])[C:29]=2[CH:28]=[CH:27][C:26]=1[C@@H:35]1[CH2:37][O:36]1>CCO>[ClH:1].[OH:36][C@H:35]([C:26]1[CH:27]=[CH:28][C:29]2[C:30](=[O:34])[O:31][CH2:32][C:33]=2[C:25]=1[CH3:24])[CH2:37][N:13]1[CH2:12][CH2:11][CH:10]([C:8]([N:7]([C:6]2[S:2][N:3]=[CH:4][CH:5]=2)[CH3:16])=[O:9])[CH2:15][CH2:14]1 | 2 |
ClCC(=O)Cl.COC=1C=C(N)C=CC1C1=CN=CO1>>ClCC(=O)NC1=CC(=C(C=C1)C1=CN=CO1)OC | 5 |
[OH:1][CH2:2][C:3]1[N:8]([CH3:9])[C:7](=[O:10])[C:6]2[S:11][C:12]3[CH2:17][CH2:16][CH2:15][CH2:14][C:13]=3[C:5]=2[C:4]=1[C:18]1[C:19]([CH3:28])=[C:20]2[C:25](=[CH:26][CH:27]=1)[O:24][CH2:23][CH2:22][CH2:21]2>C(Cl)(Cl)Cl.[O-2].[Mn+4].[O-2]>[CH3:9][N:8]1[C:3]([CH:2]=[O:1])=[C:4]([C:18]2[C:19]([CH3:28])=[C:20]3[C:25](=[CH:26][CH:27]=2)[O:24][CH2:23][CH2:22][CH2:21]3)[C:5]2[C:13]3[CH2:14][CH2:15][CH2:16][CH2:17][C:12]=3[S:11][C:6]=2[C:7]1=[O:10] | 1 |
FC1=C(C=CC=C1)C1=CC(=NC=C1)C#N>CCO[H].Cl.NO.C(O)([O-])=O.[Na+]>FC1=C(C=CC=C1)C1=CC(=NC=C1)C(N)=NO | 3 |
[CH2:1]([O:4][CH3:5])[C:2]#[CH:3].I[C:7]1[CH:15]=[CH:14][CH:13]=[C:12]2[C:8]=1/[C:9](=[CH:17]/[C:18]1[NH:19][CH:20]=[CH:21][C:22]=1[O:23][CH3:24])/[C:10](=[O:16])[NH:11]2>Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Cu]I.CN(C=O)C.CCN(CC)CC>[CH3:5][O:4][CH2:1][C:2]#[C:3][C:7]1[CH:15]=[CH:14][CH:13]=[C:12]2[C:8]=1/[C:9](=[CH:17]/[C:18]1[NH:19][CH:20]=[CH:21][C:22]=1[O:23][CH3:24])/[C:10](=[O:16])[NH:11]2 | 1 |
N1CCNCC1.C(C)(C)(C)N1C[C@H]([C@@H](C1)C1=C(C=C(C=C1)F)F)C(=O)O>>C(C)(C)(C)N1C[C@H]([C@@H](C1)C1=C(C=C(C=C1)F)F)C(=O)N1CCN(CC1)C(CN(CC)CC)C1CCCCC1 | 5 |
C(C1=CC=CC=C1)(=O)Cl>O.C=O.[C-]#N.[K+]>C(C1=CC=CC=C1)(=O)C(C#N)O | 3 |
BrCCCCCCCCCCC(=O)N[C@@H]1CC(=O)NCCC1>>N(=[N+]=[N-])CCCCCCCCCCC(=O)N[C@@H]1CC(=O)NCCC1 | 5 |
C1(C(=[N:14][C:15]2[CH:16]=[C:17]3[C:22](=[CH:23][CH:24]=2)[CH:21]=[C:20]([C:25]([C:30]2[N:31]=[CH:32][N:33](C(C4C=CC=CC=4)(C4C=CC=CC=4)C4C=CC=CC=4)[CH:34]=2)([OH:29])[CH:26]([CH3:28])[CH3:27])[CH:19]=[CH:18]3)C2C=CC=CC=2)C=CC=CC=1.C([O-])(=O)C.[Na+].Cl.NO.[OH-].[Na+]>C1COCC1.CO>[NH2:14][C:15]1[CH:16]=[C:17]2[C:22](=[CH:23][CH:24]=1)[CH:21]=[C:20]([C:25]([C:30]1[N:31]=[CH:32][NH:33][CH:34]=1)([OH:29])[CH:26]([CH3:28])[CH3:27])[CH:19]=[CH:18]2 | 1 |
BrC=1N=C(N(C1Br)COCC[Si](C)(C)C)C>N(C)(C)C=O.C1CCCO1.C(CCC)[Li]>BrC=1N=C(N(C1C=O)COCC[Si](C)(C)C)C | 3 |
[CH3:1][C:2]([CH3:6])([CH3:5])[CH2:3][OH:4].Cl[S:8]([N:11]=C=O)(=[O:10])=[O:9].C(O)=O.CCN(CC)CC>C(Cl)Cl>[S:8](=[O:10])(=[O:9])([O:4][CH2:3][C:2]([CH3:6])([CH3:5])[CH3:1])[NH2:11] | 2 |
CN(C)/C=[CH:4]/[C:5]1[C:14]([N+:15]([O-:17])=[O:16])=[C:13]2[C:8]([CH:9]=[CH:10][CH:11]=[N:12]2)=[CH:7][CH:6]=1.C1C[O:22]CC1.O>>[N+:15]([C:14]1[C:5]([CH:4]=[O:22])=[CH:6][CH:7]=[C:8]2[C:13]=1[N:12]=[CH:11][CH:10]=[CH:9]2)([O-:17])=[O:16] | 1 |
[CH2:1]([O:3][C:4](=[O:18])[CH2:5][N:6]([CH2:8][CH2:9][C@H:10]([OH:17])[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)[CH3:7])[CH3:2].[C:19]([C:23]1[CH:28]=[CH:27][C:26](O)=[CH:25][CH:24]=1)([CH3:22])([CH3:21])[CH3:20]>C(Cl)(Cl)Cl>[CH2:1]([O:3][C:4](=[O:18])[CH2:5][N:6]([CH2:8][CH2:9][C@H:10]([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)[O:17][C:26]1[CH:27]=[CH:28][C:23]([C:19]([CH3:22])([CH3:21])[CH3:20])=[CH:24][CH:25]=1)[CH3:7])[CH3:2] | 1 |
ClC(=O)SCl.ClC1=CC(=C(C(=O)N)C=C1)OC>>ClC1=CC(=C(C=C1)C1=NSC(O1)=O)OC | 5 |
[CH2:1]([O:3][CH:4]1[C:9](=O)[CH2:8][CH2:7][N:6]([C:11]([O:13][CH2:14][CH3:15])=[O:12])[CH2:5]1)[CH3:2].C1(C[NH2:23])C=CC=CC=1.S1C=CC=C1.[H][H]>C(O)C.[Pd].CO>[NH2:23][C@H:9]1[CH2:8][CH2:7][N:6]([C:11]([O:13][CH2:14][CH3:15])=[O:12])[CH2:5][C@H:4]1[O:3][CH2:1][CH3:2] | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([OH:21])[CH:5]=[C:6]([Cl:20])[C:7]=1[O:8][C:9]1[C:14]([Cl:15])=[CH:13][C:12]([C:16]([F:19])([F:18])[F:17])=[CH:11][N:10]=1.C(=O)([O-])[O-].[K+].[K+].[Cl:28][C:29]([Cl:33])=[CH:30][CH2:31]Cl>CN(C)C=O>[Cl:1][C:2]1[CH:3]=[C:4]([O:21][CH2:31][CH:30]=[C:29]([Cl:33])[Cl:28])[CH:5]=[C:6]([Cl:20])[C:7]=1[O:8][C:9]1[C:14]([Cl:15])=[CH:13][C:12]([C:16]([F:19])([F:17])[F:18])=[CH:11][N:10]=1 | 1 |
CS(=O)(=O)Cl.OCCCC=1C=C(OCC(=O)OCC)C=CC1>>CS(=O)(=O)OCCCC=1C=C(OCC(=O)OCC)C=CC1 | 5 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[N:5]=[CH:4][C:3]=1[N+:12]([O-:14])=[O:13].C(N(CC)CC)C.[NH2:22][CH2:23][CH2:24][CH2:25][CH2:26][OH:27].O>ClCCl>[N+:12]([C:3]1[CH:4]=[N:5][C:6]2[C:11]([C:2]=1[NH:22][CH2:23][CH2:24][CH2:25][CH2:26][OH:27])=[CH:10][CH:9]=[CH:8][CH:7]=2)([O-:14])=[O:13] | 1 |
[F:1][C:2]([F:12])([F:11])[O:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1O.[C:13]([O:16][CH2:17][CH3:18])(=[O:15])[CH3:14].C([O-])([O-])=[O:20].[K+].[K+]>CC(C)=O>[F:1][C:2]([F:12])([F:11])[O:3][C:4]1[CH:9]=[CH:8][C:7]([O:20][CH2:14][C:13]([O:16][CH2:17][CH3:18])=[O:15])=[CH:6][CH:5]=1 | 2 |
C1(CCCCC1)CO.FC1=C(C(=O)N[C@@H](CC2=CC=C(C=C2)N2C(N(C=CC2=O)C)=O)C(=O)O)C(=CC(=C1)NS(=O)(=O)C1=CC=C(C=C1)CNC)F>>FC1=C(C(=O)N[C@@H](CC2=CC=C(C=C2)N2C(N(C=CC2=O)C)=O)C(=O)OCC2CCCCC2)C(=CC(=C1)NS(=O)(=O)C1=CC=C(C=C1)CNC)F | 5 |
CS(=O)(=O)Cl.CC1=C(N)C(=CC=C1)[N+](=O)[O-].N1=CC(=CC=C1)C.BrC1=NN(C(=C1)C(=O)O)C1=NC=CC=C1Cl>CC#N>BrC1=NN(C(=C1)C(=O)NC1=C(C=CC=C1[N+](=O)[O-])C)C1=NC=CC=C1Cl | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([CH2:8][OH:9])[CH:5]=[CH:4][C:3]=1[CH:10]([CH3:24])[C:11]([C:17]1[CH:22]=[CH:21][N:20]=[C:19]([Cl:23])[CH:18]=1)([OH:16])[C:12]([F:15])([F:14])[F:13].[CH3:25][O:26][C:27]([C:29]1[CH:34]=[N:33][C:32](Cl)=[CH:31][N:30]=1)=[O:28]>>[CH3:25][O:26][C:27]([C:29]1[CH:34]=[N:33][C:32]([O:9][CH2:8][C:6]2[CH:5]=[CH:4][C:3]([CH:10]([CH3:24])[C:11]([C:17]3[CH:22]=[CH:21][N:20]=[C:19]([Cl:23])[CH:18]=3)([OH:16])[C:12]([F:15])([F:14])[F:13])=[C:2]([Cl:1])[CH:7]=2)=[CH:31][N:30]=1)=[O:28] | 1 |
ClCC(=O)NC1=CC=CC=C1.C1(=CCCCC1)C1(C(NC(N(C1=O)C)=O)=O)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C1(=CCCCC1)C1(C(N(C(N(C1=O)C=1C=CC=C(C1)NC(C)=O)=O)C)=O)C | 3 |
C1(=CC=CC=C1)S(=O)(=O)Cl.N1C(=NC2=C1C=CC=C2)CN(CC2=CC=C(C=C2)CN)C2CCCC=1C=CC=NC21>ClCCl.CCN(CC)CC>C1(=CC=CC=C1)S(=O)(=O)N1C(=NC2=C1C=CC=C2)CN(C2CCCC=1C=CC=NC21)CC2=CC=C(CNS(=O)(=O)C1=CC=CC=C1)C=C2 | 3 |
CC1=C(C(=CC(=C1)C)C)S(=O)(=O)ON.COCOC=1C=NC=C(C1)C>ClCCl>CC1=C(C(=CC(=C1)C)C)S(=O)(=O)[O-].N[N+]1=CC(=CC(=C1)C)OCOC | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([N+:8]([O-:10])=[O:9])[CH:5]=[CH:4][C:3]=1F.[CH3:12][N:13]([CH3:19])[CH:14]1[CH2:18][CH2:17][NH:16][CH2:15]1.C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C>[Cl:1][C:2]1[CH:7]=[C:6]([N+:8]([O-:10])=[O:9])[CH:5]=[CH:4][C:3]=1[N:16]1[CH2:17][CH2:18][CH:14]([N:13]([CH3:19])[CH3:12])[CH2:15]1 | 1 |
ClCCOC(=O)Cl.C(C1=CC=CC=C1)(C1=CC=CC=C1)N1CC(C1)OS(=O)(=O)C>>Cl.CS(=O)(=O)OC1CNC1 | 5 |
[OH-].[Na+].Cl.C([O:6][C:7]([C@H:9]1[CH2:14][C:13]([CH3:15])=[CH:12][CH2:11][N:10]1[C:16](=[O:43])[C@H:17]([CH2:33][C:34]1[CH:39]=[CH:38][CH:37]=[C:36]([C:40](=[NH:42])[NH2:41])[CH:35]=1)[NH:18][S:19]([C:22]1[CH:31]=[C:30]2[C:25]([CH2:26][CH2:27][N:28]([CH3:32])[CH2:29]2)=[CH:24][CH:23]=1)(=[O:21])=[O:20])=[O:8])C.Cl>O1CCOCC1>[CH3:15][C:13]1[CH2:14][C@H:9]([C:7]([OH:8])=[O:6])[N:10]([C:16](=[O:43])[C@H:17]([CH2:33][C:34]2[CH:39]=[CH:38][CH:37]=[C:36]([C:40](=[NH:41])[NH2:42])[CH:35]=2)[NH:18][S:19]([C:22]2[CH:31]=[C:30]3[C:25]([CH2:26][CH2:27][N:28]([CH3:32])[CH2:29]3)=[CH:24][CH:23]=2)(=[O:21])=[O:20])[CH2:11][CH:12]=1 | 1 |
[CH3:1][O:2][C:3]1[C:4]([O:30][CH3:31])=[CH:5][C:6]2[C:15]3[C:10](=[C:11]4[C:19]([N+:20]([O-])=O)=[CH:18][CH:17]=[CH:16][C:12]4=[N:13][CH:14]=3)[N:9]([CH2:23][CH2:24][N:25]([CH3:27])[CH3:26])[C:8](=[O:28])[C:7]=2[CH:29]=1>C(O)C.[Ni].O.NN>[NH2:20][C:19]1[C:11]2[C:12](=[N:13][CH:14]=[C:15]3[C:10]=2[N:9]([CH2:23][CH2:24][N:25]([CH3:26])[CH3:27])[C:8](=[O:28])[C:7]2[CH:29]=[C:3]([O:2][CH3:1])[C:4]([O:30][CH3:31])=[CH:5][C:6]3=2)[CH:16]=[CH:17][CH:18]=1 | 1 |
[NH2:1][C@H:2]1[CH2:6][CH2:5][CH2:4][C@@H:3]1[O:7][C:8]1[CH:13]=[C:12]([F:14])[CH:11]=[CH:10][C:9]=1[NH:15][C:16]1[C:17]2[C:24]([CH3:25])=[C:23]([C:26]([NH2:28])=[O:27])[S:22][C:18]=2[N:19]=[CH:20][N:21]=1.C(N(CC)C(C)C)(C)C.C(Cl)Cl.[C:41](Cl)(=[O:43])[CH3:42]>O>[C:41]([NH:1][C@H:2]1[CH2:6][CH2:5][CH2:4][C@@H:3]1[O:7][C:8]1[CH:13]=[C:12]([F:14])[CH:11]=[CH:10][C:9]=1[NH:15][C:16]1[C:17]2[C:24]([CH3:25])=[C:23]([C:26]([NH2:28])=[O:27])[S:22][C:18]=2[N:19]=[CH:20][N:21]=1)(=[O:43])[CH3:42] | 1 |
C1COCCN1.ClCC=1SC=C(N1)C(=O)NC1=C2C=NN(C2=CC(=C1)C=1C=NC(=C(C1)NS(=O)(=O)C)Cl)S(=O)(=O)C1=CC=CC=C1>>C(=O)O.ClC1=C(C=C(C=N1)C1=CC(=C2C=NNC2=C1)NC(=O)C=1N=C(SC1)CN1CCOCC1)NS(=O)(=O)C | 5 |
[CH3:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:10]=1[C:9](=[O:11])[O:8][CH2:7]2.[BH4-].[Li+].Cl.C(OCC)(=O)C>O1CCCC1.CCCCCC>[CH3:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]([CH2:7][OH:8])[C:10]=1[CH2:9][OH:11] | 1 |
C([O:3][C:4](=O)[CH2:5][N:6]1[C:14]2[CH:13]=[C:12]3[NH:15][C:16]([C:18]4[C:26]5[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=5)[NH:20][N:19]=4)=[N:17][C:11]3=[CH:10][C:9]=2[C:8]([CH3:28])([CH3:27])[C:7]1=[O:29])C.[NH2:31][OH:32].[OH-].[K+]>>[OH:32][NH:31][C:4](=[O:3])[CH2:5][N:6]1[C:14]2[CH:13]=[C:12]3[NH:15][C:16]([C:18]4[C:26]5[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=5)[NH:20][N:19]=4)=[N:17][C:11]3=[CH:10][C:9]=2[C:8]([CH3:28])([CH3:27])[C:7]1=[O:29] | 2 |
C(C)(C)(C)OC(=O)N1CCC(C2=CC=C(C=C12)C(C#CC1=CC=C(C=C1)C(=O)O)CCCCC)(C)C>>CC1(CCNC2=CC(=CC=C12)C(C#CC1=CC=C(C(=O)O)C=C1)CCCCC)C | 5 |
BrC=1SC=CC1.N1(CCC1)C1(CCC2(OCCO2)CC1)C#N>>S1C(=CC=C1)C1(CCC2(OCCO2)CC1)N1CCC1 | 5 |
C(C)(C)(C)OC(=O)N1[C@H]2[C@@H]([C@H](C1)O)N(CC2)C([C@H](CC(C)C)NC(C2=CC=C(C=C2)C(C)(C)C)=O)=O>>Cl.C(C)(C)(C)C1=CC=C(C(=O)N[C@@H](CC(C)C)C(=O)N2[C@H]3[C@@H](CC2)NC[C@@H]3O)C=C1 | 5 |
CN(CC(=O)OCC1=CC=CC=C1)C1CCCC=2C=CC=NC12>CO[H].[HH].[Pd]>CN(CC(=O)O)C1CCCC=2C=CC=NC12 | 3 |
C([O-])=O.[NH4+].[C:5]([O:8][CH:9]1[CH2:14][CH2:13][N:12]([C:15]2[CH:20]=[CH:19][C:18]([N+:21]([O-])=O)=[C:17]([O:24][CH:25]([CH3:27])[CH3:26])[CH:16]=2)[CH2:11][CH2:10]1)(=[O:7])[CH3:6]>CO.[Pd]>[C:5]([O:8][CH:9]1[CH2:10][CH2:11][N:12]([C:15]2[CH:20]=[CH:19][C:18]([NH2:21])=[C:17]([O:24][CH:25]([CH3:27])[CH3:26])[CH:16]=2)[CH2:13][CH2:14]1)(=[O:7])[CH3:6] | 1 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6](B(O)O)=[CH:5][CH:4]=1)#[N:2].Br[C:13]1[CH:14]=[N:15][CH:16]=[CH:17][C:18]=1[S:19][C:20]([CH3:27])([CH3:26])[C:21]([O:23][CH2:24][CH3:25])=[O:22].C(#N)C.C(=O)([O-])[O-].[Na+].[Na+]>C1COCC1.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]>[C:1]([C:3]1[CH:8]=[CH:7][C:6]([C:17]2[CH:16]=[N:15][CH:14]=[CH:13][C:18]=2[S:19][C:20]([CH3:26])([CH3:27])[C:21]([O:23][CH2:24][CH3:25])=[O:22])=[CH:5][CH:4]=1)#[N:2] | 1 |
[NH:1]1[CH2:6][CH2:5][NH:4][CH2:3][CH2:2]1.F[C:8]1[CH:16]=[CH:15][C:11]([C:12]([NH2:14])=[O:13])=[CH:10][CH:9]=1>O>[N:1]1([C:8]2[CH:16]=[CH:15][C:11]([C:12]([NH2:14])=[O:13])=[CH:10][CH:9]=2)[CH2:6][CH2:5][NH:4][CH2:3][CH2:2]1 | 1 |
FC1=C(C=C(C(=C1)CN1S([C@H](CC[C@@H]1C)C1=CC=CC=C1)(=O)=O)F)C(C(=O)OC(C)(C)C)CC1COC1>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>FC1=C(C=C(C(=C1)CN1S([C@H](CC[C@@H]1C)C1=CC=CC=C1)(=O)=O)F)C(CO)CC1COC1 | 3 |
FC(C=1C=C(C=CC1)O)(F)F.BrC(=C)CC>O.C([O-])([O-])=O.[K+].[K+].C(C)C(=O)C>FC(C=1C=C(OCC=CC)C=CC1)(F)F | 3 |
C(C)(C)(C)S(=O)N.ClC=1C=C2C=C(C(NC2=CC1OCC1CC(C1)(F)F)=O)C=O>C1CCCO1.C(C)(=O)OCC.CC([O-])C.[Ti+4].CC([O-])C.CC([O-])C.CC([O-])C>ClC=1C=C2C=C(C(NC2=CC1OCC1CC(C1)(F)F)=O)\C=N\S(=O)C(C)(C)C | 3 |
[CH2:1]([NH:4][C@@H:5]([CH2:9][OH:10])[CH2:6][CH2:7][CH3:8])[CH2:2][CH3:3].CN1CCOCC1.[S:18](Cl)(Cl)=[O:19].O>ClCCl>[CH2:1]([N:4]1[CH:5]([CH2:6][CH2:7][CH3:8])[CH2:9][O:10][S@:18]1=[O:19])[CH2:2][CH3:3] | 1 |
OCCC1=CC=C(C(=O)OC(C)C)C=C1>>O=CCC1=CC=C(C(=O)OC(C)C)C=C1 | 5 |
Cl.ClCCN1CCOCC1.FC1=C(C=CC(=C1)N(C(C(F)(F)F)=O)CC1=CC=C2CCCNC2=C1C)CCC(=O)OCC>N(C)(C)C=O.O.[I-].[K+].P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>Cl.Cl.Cl.FC1=C(C=CC(=C1)NCC1=CC=C2CCCN(C2=C1C)CCN1CCOCC1)CCC(=O)O | 3 |
CO\C(\C(=O)OC)=C/C1=CC=C(C=C1)C1=CC(=CC=C1)NC>C(C)(C)N(C(C)C)CC.ClC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]>CO\C(\C(=O)OC)=C/C1=CC=C(C=C1)C1=CC(=CC=C1)N(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C | 3 |
CN(C(=O)C=1C=C(C=C(C1OC)C)[N+](=O)[O-])C>O.C(C)OCC.C1=CC=CC=C1.P12(=S)SP3(=S)SP(=S)(S1)SP(=S)(S2)S3>CN(C(=S)C=1C=C(C=C(C1OC)C)[N+](=O)[O-])C | 3 |
FC1=CC=C(C=C1)[N+](=O)[O-].OC=1C=C2C(N(C=NC2=CC1)C)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>CN1C=NC2=CC=C(C=C2C1=O)OC1=CC=C(C=C1)[N+](=O)[O-] | 3 |
[N+:1]([CH:4]=[CH:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)([O-:3])=[O:2].[N:12]1([C:17]([S-:19])=[S:18])[CH2:16][CH2:15][CH2:14][CH2:13]1.[NH4+].C(O)(=O)C>CO>[N:12]1([C:17]([S:19][CH:5]([CH2:4][N+:1]([O-:3])=[O:2])[C:6]2[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=2)=[S:18])[CH2:16][CH2:15][CH2:14][CH2:13]1 | 1 |
CNN.COC(C(C(C(C1=C(C=CC=C1)C(F)(F)F)=O)C)=O)=O>CCO[H]>COC(=O)C=1C(N=C(C1C)C1=C(C=CC=C1)C(F)(F)F)C.COC(=O)C1=NN(C(=C1C)C1=C(C=CC=C1)C(F)(F)F)C | 3 |
[CH2:1]([O:3][C:4]1[N:9]=[C:8]([F:10])[CH:7]=[C:6]([NH:11][NH2:12])[N:5]=1)[CH3:2].[C:13](=S)=[S:14].OO.C(N(CC)CC)C.Cl>O.C(#N)C>[CH2:1]([O:3][C:4]1[N:5]2[C:13](=[S:14])[NH:12][N:11]=[C:6]2[CH:7]=[C:8]([F:10])[N:9]=1)[CH3:2] | 1 |
FC=1C=NC(=NC1)NC(=S)N.COC1=CC=C(CN2N=C3N(CCCC(C3=C2)=O)CCCN2CCOCC2)C=C1>>FC=1C=NC(=NC1)NC=1SC2=C(C=3C(N(CC2)CCCN2CCOCC2)=NN(C3)CC3=CC=C(C=C3)OC)N1 | 5 |
C12(CCCCC1)OC1=CC(=CC=C1C(C2)O)O>ClCCl.C(=O)(C(F)(F)F)O.C(C)[SiH](CC)CC>C12(CCCCC1)OC1=CC(=CC=C1CC2)O | 3 |
CCN(C(C)C)C(C)C.[C:10]1([C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)[CH:15]=[CH:14][C:13]([CH:16]([N:18]([CH2:26][C:27](O)=[O:28])[C:19]([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:20])[CH3:17])=[CH:12][CH:11]=1.C1C=CC2N(O)N=NC=2C=1.CCN=C=NCCCN(C)C.Cl.[F:58][C:59]1[CH:60]=[CH:61][C:62]([C:73]([F:76])([F:75])[F:74])=[C:63]([C:65]([N:67]2[CH2:72][CH2:71][NH:70][CH2:69][CH2:68]2)=[O:66])[CH:64]=1>CN(C=O)C.O>[C:22]([O:21][C:19](=[O:20])[N:18]([CH:16]([C:13]1[CH:14]=[CH:15][C:10]([C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)=[CH:11][CH:12]=1)[CH3:17])[CH2:26][C:27]([N:70]1[CH2:71][CH2:72][N:67]([C:65](=[O:66])[C:63]2[CH:64]=[C:59]([F:58])[CH:60]=[CH:61][C:62]=2[C:73]([F:76])([F:74])[F:75])[CH2:68][CH2:69]1)=[O:28])([CH3:23])([CH3:24])[CH3:25] | 1 |
[Cl:1][C:2]1[CH:15]=[CH:14][C:5]([CH:6](O)[C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)=[CH:4][CH:3]=1.[OH:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][N:18]=1.S(=O)(=O)(O)O.C(OCC)(=O)C>O>[Cl:1][C:2]1[CH:15]=[CH:14][C:5]([CH:6]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)[C:20]2[CH:21]=[CH:22][C:17](=[O:16])[NH:18][CH:19]=2)=[CH:4][CH:3]=1 | 1 |
C(C)(C)(C)NC(C1=CC(=CC=C1)OC1=C(C=C(C=C1)NC1=NC=NC=2NCCC(=CC21)C=O)Cl)=O>C1(=CC=CC=C1)C.C(=O)(OCC)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>C(C)(C)(C)NC(=O)C=1C=C(OC2=C(C=C(C=C2)NC2=NC=NC=3NCCC(=CC32)/C=C/C(=O)OCC)Cl)C=CC1 | 3 |
C[O:2][C:3](=[O:35])[C:4]1[CH:9]=[C:8]([O:10][CH3:11])[CH:7]=[CH:6][C:5]=1[NH:12][C:13]1[N:17]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=2[CH3:24])[N:16]=[C:15]([CH3:25])[C:14]=1[C:26]1[CH:27]=[CH:28][C:29]2[N:30]([N:32]=[CH:33][N:34]=2)[CH:31]=1.[OH-].[Na+].Cl>O1CCOCC1.O>[CH3:11][O:10][C:8]1[CH:7]=[CH:6][C:5]([NH:12][C:13]2[N:17]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=3[CH3:24])[N:16]=[C:15]([CH3:25])[C:14]=2[C:26]2[CH:27]=[CH:28][C:29]3[N:30]([N:32]=[CH:33][N:34]=3)[CH:31]=2)=[C:4]([CH:9]=1)[C:3]([OH:35])=[O:2] | 2 |
[Br:1][C:2]1[CH:9]=[C:6]([CH:7]=O)[C:5]([OH:10])=[CH:4][CH:3]=1.[Cl:11][C:12]1[CH:18]=[C:17]([Cl:19])[CH:16]=[CH:15][C:13]=1[NH2:14]>C(O)C>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([OH:10])=[C:6]([CH:7]=[N:14][C:13]2[CH:15]=[CH:16][C:17]([Cl:19])=[CH:18][C:12]=2[Cl:11])[CH:9]=1 | 2 |
C(C1=CC=CC=C1)N1[C@H](CC[C@@H]1CCC)CCC>>C(CC)[C@@H]1N[C@H](CC1)CCC | 5 |
C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@@H](C(C)C)C(=O)N([C@H]([C@@H](CC(=O)N1[C@@H](CCC1)[C@@H]([C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)C)OC)OC)[C@H](CC)C)C>O.C1CCCO1.[OH-].[Li+]>CO[C@H]([C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)C)[C@H]1N(CCC1)C(C[C@H]([C@H]([C@H](CC)C)N(C([C@@H](N)C(C)C)=O)C)OC)=O | 3 |
FC(S(=O)(=O)OC1=C(OC2=CN=CC=C21)C2=NC=CC=N2)(F)F.NC1=C2C(=NN(C2=CC=C1)C(=O)OC(C)(C)C)CCCO[Si](C)(C)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.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>[Si](C)(C)(C(C)(C)C)OCCCC1=NN(C2=CC=CC(=C12)NC1=C(OC2=CN=CC=C21)C2=NC=CC=N2)C(=O)OC(C)(C)C | 3 |
S([S:4]([O-:6])=[O:5])([O-])=[O:2].[Na+:7].[Na+].[Cr:9](O[Cr]([O-])(=O)=O)([O-])(=O)=[O:10].[Na+].[Na+].[OH2:20]>>[OH-:2].[Cr+3:9].[OH-:10].[OH-:20].[S:4]([O-:6])([O-:10])(=[O:5])=[O:20].[Na+:7].[Na+:7] | 1 |
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