HRID288898

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：COc1ccc(-c2nc(Sc3ccc(F)cc3)[nH]c2-c2ccc(OC)cc2)cc1

HCID12832308

2-[(4-Fluorophenyl)sulfanyl]-4,5-bis(4-methoxyphenyl)-1H-imidazole

C23H19FN2O2S

PRODUCTS

生成物

结构：COc1ccc(-c2nc(S(=O)c3ccc(F)cc3)[nH]c2-c2ccc(OC)cc2)cc1

HCID12832337

2-(4-Fluorobenzene-1-sulfinyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole

C23H19FN2O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a5ea69682ac4b82818ff3b566989fe2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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