HRID1550261

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11791119

4-[(Methylsulfonyl)amino]benzoyl chloride

C8H8ClNO3S

结构：COc1ccc(CN2CCN(c3cccc(Cl)c3)CC2CNC(C)C)cc1OC

HCID14998781

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2CCN(c3cccc(Cl)c3)CC2CN(C(=O)c2ccc(NS(C)(=O)=O)cc2)C(C)C)cc1OC

HCID19755015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0fcb426eb35f43b8bcb62145e63d4314
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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