HRID195864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21938415

3-Chloro-4,7-difluorobenzo[b]thiophene-2-carbonyl chloride

C9H2Cl2F2OS

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

HCID59683561

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1CN(C(=O)c1sc2c(F)ccc(F)c2c1Cl)C1CCC(NC(=O)OC(C)(C)C)CC1

HCID59683555

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6b8e40b9af84b6989e4499a5d3e30f3
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

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