HRID145032

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID7398

Benzenesulfonyl chloride, 4-chloro-

C6H4Cl2O2S

HCID8857

Ethyl acetate

C4H8O2

HCID68948886

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1

HCID11599230

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e56a90a2a9614e7199fdd6fc48b106f7
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([O:20][CH3:21])[c:6]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[c:13]([NH2:19])[cH:14][c:15]([F:18])[cH:16][cH:17]2)[cH:7]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:22][c:23]1[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[Cl:32])[cH:27][cH:28]1.[Cl:39][CH2:40][Cl:41].[cH:33]1[cH:34][cH:35][n:36][cH:37][cH:38]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([O:20][CH3:21])[c:6]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[c:13]([NH:19][S:29]([c:26]3[cH:25][cH:24][c:23]([Cl:22])[cH:28][cH:27]3)(=[O:30])=[O:31])[cH:14][c:15]([F:18])[cH:16][cH:17]2)[cH:7]1