HRID1138425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：COc1cnc(N(C)S(C)(=O)=O)c2c1C(=O)N(Cc1ccc(F)cc1)CC2

HCID69065758

未命名化合物

PRODUCTS

生成物

结构：COc1c[n+]([O-])c(N(C)S(C)(=O)=O)c2c1C(=O)N(Cc1ccc(F)cc1)CC2

HCID69058516

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0995f7e32d0b4fdc8a4826a6bc50b3b1
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

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