HRID2349708

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

HCID72171

2-((2-Pyridylmethyl)sulfinyl)benzimidazole

C13H11N3OS

HCID683949

未命名化合物

结构：COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2c1

HCID178488149

未命名化合物

PRODUCTS

生成物

HCID447

3-Chlorobenzoic acid

C7H5ClO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eaa9a6a4846247c1a10a88e2bf9514d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[nH:7][c:8]([S:9]([CH2:10][c:11]3[c:12]([CH3:13])[c:14]([O:15][CH3:16])[c:17]([CH3:18])[cH:19][n:20]3)=[O:21])[n:22][c:23]2[cH:24]1.[CH:71]([Cl:72])([Cl:73])[Cl:74].[OH:60][O:61][C:62](=[O:63])[c:64]1[cH:65][cH:66][cH:67][c:68]([Cl:69])[cH:70]1.[n:25]1[cH:26][cH:27][cH:28][cH:29][c:30]1[CH2:31][S:32]([c:33]1[nH:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41]1)=[O:42].[n:43]1[cH:44][cH:45][cH:46][cH:47][c:48]1[CH2:49][S:50][c:51]1[nH:52][c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59]1>>[O:61]=[C:62]([OH:63])[c:64]1[cH:65][cH:66][cH:67][c:68]([Cl:69])[cH:70]1