HRID166849

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

HCID59683468

未命名化合物

PRODUCTS

生成物

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

HCID59683537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d646c05ad0e4840ae3fac18b74cb6d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[N: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]([N:27]([C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH3:35])[CH2:25][CH2:26]3)[c:14]([O:17][CH3:18])[cH:15][cH:16]2)[cH:9][cH:10]1)[CH3:36].[Cl:37][c:38]1[c:39]2[c:40]([s:41][c:42]1[C:43](=[O:44])[Cl:45])[c:46]([F:51])[cH:47][cH:48][c:49]2[F:50]>>[C:1]([CH3:2])(=[O:3])[N: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]([N:27]([C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH3:35])[CH2:25][CH2:26]3)[C:43]([c:42]3[c:38]([Cl:37])[c:39]4[c:40]([s:41]3)[c:46]([F:51])[cH:47][cH:48][c:49]4[F:50])=[O:44])[c:14]([O:17][CH3:18])[cH:15][cH:16]2)[cH:9][cH:10]1)[CH3:36]