HRID180818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

反应SMILES：CC(C)(C)OC(=O)N1CCc2sc(NC(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)cc2C1

HCID22710115

未命名化合物

PRODUCTS

产物

反应SMILES：CN(C(=O)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2

HCID22710428

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c3e67032583144808676df09b79daf4a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([s:14][c:15]([NH:17][C:18](=[O:19])[N:20]3[CH2:21][CH2:22][N:23]([S:26](=[O:27])(=[O:28])[c:29]4[cH:30][c:31]5[cH:32][cH:33][c:34]([Cl:39])[cH:35][c:36]5[cH:37][cH:38]4)[CH2:24][CH2:25]3)[cH:16]2)[CH2:12][CH2:13]1.[CH3:42][I:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[H-:40].[Na+:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([s:14][c:15]([N:17]([C:18](=[O:19])[N:20]3[CH2:21][CH2:22][N:23]([S:26](=[O:27])(=[O:28])[c:29]4[cH:30][c:31]5[cH:32][cH:33][c:34]([Cl:39])[cH:35][c:36]5[cH:37][cH:38]4)[CH2:24][CH2:25]3)[CH3:44])[cH:16]2)[CH2:12][CH2:13]1