HRID111322

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81410

2-Chlorobenzenesulfonamide

C6H6ClNO2S

结构：COc1cc(C(=O)O)ccc1Cc1cn(C)c2ccc(CC(C)NC(=O)N(C)C)cc12

HCID57195283

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NS(=O)(=O)c2ccccc2Cl)ccc1Cc1cn(C)c2ccc(CC(C)NC(=O)N(C)C)cc12

HCID57020800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-715304ef9ba8447da034243ab4a4cd84
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][N:2]([C:3]([NH:4][CH:5]([CH2:6][c:7]1[cH:8][c:9]2[c:10]([CH2:17][c:18]3[c:19]([O:27][CH3:28])[cH:20][c:21]([C:22](=[O:23])[OH:24])[cH:25][cH:26]3)[cH:11][n:12]([CH3:16])[c:13]2[cH:14][cH:15]1)[CH3:29])=[O:30])[CH3:31].[Cl:32][c:33]1[c:34]([S:39](=[O:40])(=[O:41])[NH2:42])[cH:35][cH:36][cH:37][cH:38]1>>[CH3:1][N:2]([C:3]([NH:4][CH:5]([CH2:6][c:7]1[cH:8][c:9]2[c:10]([CH2:17][c:18]3[c:19]([O:27][CH3:28])[cH:20][c:21]([C:22](=[O:23])[NH:42][S:39]([c:34]4[c:33]([Cl:32])[cH:38][cH:37][cH:36][cH:35]4)(=[O:40])=[O:41])[cH:25][cH:26]3)[cH:11][n:12]([CH3:16])[c:13]2[cH:14][cH:15]1)[CH3:29])=[O:30])[CH3:31]