HRID1209964

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6367

Acetyl chloride

C2H3ClO

结构：CCc1nc2cc(NS(C)(=O)=O)c(Cl)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1

HCID21875777

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2cc(NC(C)=O)c(Cl)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1

HCID21875728

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-638560f7f6b445c4a99af281d3ada29a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:40][C:41]([Cl:42])=[O:43].[Cl:1][c:2]1[c:3]([NH:35][S:36]([CH3:37])(=[O:38])=[O:39])[cH:4][c:5]2[c:6]([n:7](-[c:12]3[cH:13][cH:14][c:15]([CH2:18][CH2:19][NH:20][C:21](=[O:22])[NH:23][S:24](=[O:25])(=[O:26])[c:27]4[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]4)[cH:16][cH:17]3)[c:8]([CH2:10][CH3:11])[n:9]2)[cH:34]1.[OH2:44].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[Cl:1][c:2]1[c:3]([NH:35][C:41]([CH3:40])=[O:43])[cH:4][c:5]2[c:6]([n:7](-[c:12]3[cH:13][cH:14][c:15]([CH2:18][CH2:19][NH:20][C:21](=[O:22])[NH:23][S:24](=[O:25])(=[O:26])[c:27]4[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]4)[cH:16][cH:17]3)[c:8]([CH2:10][CH3:11])[n:9]2)[cH:34]1