HRID2346411

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(Cl)cc2)cc1CNC1CCC(N(C)C(=O)OC(C)(C)C)CC1

HCID59683614

未命名化合物

PRODUCTS

生成物

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

HCID59683615

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cd1d242cc6448279e1a75a9e23ed2cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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