HRID303873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：CC(C)Sc1ccc(NC(=O)CCCc2ccc(Br)cc2)cc1CN(C)C(=O)OC(C)(C)C

HCID57842807

未命名化合物

结构：CC(C)S(=O)(=O)c1ccc(NC(=O)Oc2ccccc2)cc1CN(C)C(=O)OC(C)(C)C

HCID57842905

未命名化合物

PRODUCTS

生成物

结构：CC(C)S(=O)(=O)c1ccc(NC(=O)CCCc2ccc(Br)cc2)cc1CN(C)C(=O)OC(C)(C)C

HCID57842659

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-544320392b5b41eaa87bb3f709ddcf2e
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

[Br:33][c:34]1[cH:35][cH:36][c:37]([CH2:40][CH2:41][CH2:42][C:43]([NH:44][c:45]2[cH:46][cH:47][c:48]([S:49][CH:50]([CH3:51])[CH3:52])[c:53]([CH2:55][N:56]([CH3:57])[C:58](=[O:59])[O:60][C:61]([CH3:62])([CH3:63])[CH3:64])[cH:54]2)=[O:65])[cH:38][cH:39]1.[OH:66][O:67][C:68]([c:69]1[cH:70][c:71]([Cl:72])[cH:73][cH:74][cH:75]1)=[O:76].[c:1]1([O:2][C:8]([NH:9][c:10]2[cH:11][c:12]([CH2:22][N:23]([CH3:24])[C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[c:13]([S:16](=[O:17])(=[O:18])[CH:19]([CH3:20])[CH3:21])[cH:14][cH:15]2)=[O:32])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[C:8]([NH:9][c:10]1[cH:11][c:12]([CH2:22][N:23]([CH3:24])[C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[c:13]([S:16](=[O:17])(=[O:18])[CH:19]([CH3:20])[CH3:21])[cH:14][cH:15]1)(=[O:32])[CH2:42][CH2:41][CH2:40][c:37]1[cH:36][cH:35][c:34]([Br:33])[cH:39][cH:38]1