HRID1129040

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(NS(=O)C(C)(C)C)COC3)s2)c1

HCID67257326

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(NS(=O)(=O)C(C)(C)C)COC3)s2)c1

HCID58456337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a60aee1b50ab43d58b6159eee11ce5d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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