HRID2324107

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9837752

N-[5-(2-amino-1-hydroxyethyl)-2-hydroxyphenyl]methanesulfonamide

C9H14N2O4S

结构：O=C1CCN(c2ccc(NS(=O)(=O)c3ccc(CC4SC(=O)NC4=O)cc3)cc2)CC1

HCID22220503

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)Nc1cc(C(O)CNC2CCN(c3ccc(NS(=O)(=O)c4ccc(CC5SC(=O)NC5=O)cc4)cc3)CC2)ccc1O

HCID22220548

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf019ec60e964eea9bc09ed91b537baa
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

[NH2:32][CH2:33][CH:34]([OH:35])[c:36]1[cH:37][cH:38][c:39]([OH:47])[c:40]([NH:42][S:43](=[O:44])(=[O:45])[CH3:46])[cH:41]1.[O:1]=[C:2]1[S:3][CH:4]([CH2:8][c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[NH:18][c:19]3[cH:20][cH:21][c:22]([N:25]4[CH2:26][CH2:27][C:28](=[O:31])[CH2:29][CH2:30]4)[cH:23][cH:24]3)[cH:13][cH:14]2)[C:5](=[O:7])[NH:6]1>>[O:1]=[C:2]1[S:3][CH:4]([CH2:8][c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[NH:18][c:19]3[cH:20][cH:21][c:22]([N:25]4[CH2:26][CH2:27][CH:28]([NH:32][CH2:33][CH:34]([OH:35])[c:36]5[cH:37][cH:38][c:39]([OH:47])[c:40]([NH:42][S:43](=[O:44])(=[O:45])[CH3:46])[cH:41]5)[CH2:29][CH2:30]4)[cH:23][cH:24]3)[cH:13][cH:14]2)[C:5](=[O:7])[NH:6]1