HRID688973

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：COc1cc(S(=O)c2ccccc2C#N)ccc1C1CCN(C(=O)OC(C)(C)C)C1

HCID66877134

未命名化合物

PRODUCTS

生成物

结构：COc1cc(S(=O)(=O)c2ccccc2C#N)ccc1C1CCN(C(=O)OC(C)(C)C)C1

HCID59428326

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f80ce2af11d4bc29623f7e621c712e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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