HRID1232791

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：Cc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)sc2-c2ccnc(Sc3ccccc3)c2)c1

HCID21964257

4-{2-[4-(Methanesulfonyl)phenyl]-4-(3-methylphenyl)-1,3-thiazol-5-yl}-2-(phenylsulfanyl)pyridine

C28H22N2O2S3

PRODUCTS

生成物

结构：Cc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)sc2-c2ccnc(S(=O)(=O)c3ccccc3)c2)c1

HCID21964229

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc816bbaa9ff444abc56e67b8772a9ed
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

[CH3:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10](-[c:26]3[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[CH3:35])[cH:30][cH:31]3)[s:11][c:12]2-[c:13]2[cH:14][c:15]([S:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[n:16][cH:17][cH:18]2)[cH:5][cH:6][cH:7]1.[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl:36][c:37]1[cH:38][cH:39][cH:40][c:41]([C:42]([O:43][OH:45])=[O:44])[cH:46]1.[Na+:48].[OH-:47]>>[CH3:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10](-[c:26]3[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[CH3:35])[cH:30][cH:31]3)[s:11][c:12]2-[c:13]2[cH:14][c:15]([S:19]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)(=[O:44])=[O:47])[n:16][cH:17][cH:18]2)[cH:5][cH:6][cH:7]1