HRID1556397

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(-c2cccnc2)cc1CNC1CCC(N(C)C(=O)OC(C)(C)C)CC1

HCID59683605

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cccnc2)cc1CN(C(=O)c1sc2c(F)ccc(F)c2c1Cl)C1CCC(N(C)C(=O)OC(C)(C)C)CC1

HCID59683500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d8e22da584d4b0ea58cf4ded5aa5607
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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