HRID1150229

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

HCID68348883

未命名化合物

PRODUCTS

生成物

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

HCID68348886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db251df00b63460faa7f7aba29b146cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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