HRID110879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID62754

Carbonochloridic acid, chloromethyl ester

C2H2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CN)cc1

HCID57925930

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)OCCl)cc1

HCID57925931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f979fb5ff981460fbde2c3d5ae7c968b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:40][CH2:41][O:42][C:43](=[O:44])[Cl:45].[Cl:46][CH2:47][Cl:48].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[c:11]([NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[cH:12][cH:13][c:14](-[c:16]3[s:17][cH:18][cH:19][cH:20]3)[cH:15]2)[cH:29][cH:30]1>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[c:11]([NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[cH:12][cH:13][c:14](-[c:16]3[s:17][cH:18][cH:19][cH:20]3)[cH:15]2)[cH:29][cH:30]1)[C:43]([O:42][CH2:41][Cl:40])=[O:44]