HRID186749

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID519898

3-Chlorobenzo[b]thiophene-2-carbonyl chloride

C9H4Cl2OS

结构：COc1ccc(-c2ccc(C(N)=O)cc2)cc1CNC1CCC(N(C)C(=O)OC(C)(C)C)CC1

HCID59683480

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(C(N)=O)cc2)cc1CN(C(=O)c1sc2ccccc2c1Cl)C1CCC(N(C)C(=O)OC(C)(C)C)CC1

HCID59683502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1838c3da3e79443296045506b00c9d56
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]([NH2:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][c:12]([CH2:18][NH:19][CH:20]3[CH2:21][CH2:22][CH:23]([N:26]([C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH3:34])[CH2:24][CH2:25]3)[c:13]([O:16][CH3:17])[cH:14][cH:15]2)[cH:8][cH:9]1.[Cl:35][c:36]1[c:37]2[c:38]([s:39][c:40]1[C:41](=[O:42])[Cl:43])[cH:44][cH:45][cH:46][cH:47]2>>[C:1]([NH2:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][c:12]([CH2:18][N:19]([CH:20]3[CH2:21][CH2:22][CH:23]([N:26]([C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH3:34])[CH2:24][CH2:25]3)[C:41]([c:40]3[c:36]([Cl:35])[c:37]4[c:38]([s:39]3)[cH:44][cH:45][cH:46][cH:47]4)=[O:42])[c:13]([O:16][CH3:17])[cH:14][cH:15]2)[cH:8][cH:9]1