HRID2320266

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)Nc2ccc(S(=O)(=O)N3CCSCC3)cc2)cc1OC

HCID9960542

S-3448

C25H26ClN3O7S3

PRODUCTS

生成物

结构：COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)Nc2ccc(S(=O)(=O)N3CCS(=O)CC3)cc2)cc1OC

HCID22495846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e948a7cbd3444348db976c6a595aab3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:51][C:52](=[O:53])[CH3:54].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[c:13]([C:14](=[O:15])[NH:16][c:17]3[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[N:26]4[CH2:27][CH2:28][S:29][CH2:30][CH2:31]4)[cH:21][cH:22]3)[cH:32][c:33]([O:38][CH3:39])[c:34]([O:36][CH3:37])[cH:35]2)[cH:6][cH:7]1.[Cl:40][c:41]1[cH:42][cH:43][cH:44][c:45]([C:46]([O:47][OH:49])=[O:48])[cH:50]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[c:13]([C:14](=[O:15])[NH:16][c:17]3[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[N:26]4[CH2:27][CH2:28][S:29](=[O:48])[CH2:30][CH2:31]4)[cH:21][cH:22]3)[cH:32][c:33]([O:38][CH3:39])[c:34]([O:36][CH3:37])[cH:35]2)[cH:6][cH:7]1