HRID126298

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID120313

4-(Methanesulfonyl)benzene-1-sulfonamide

C7H9NO4S2

结构：Cc1nn(-c2ccc(CCNC(=O)Oc3ccccc3)cc2)c(C)c1-c1ccccc1

HCID22244550

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(-c2ccc(CCNC(=O)NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2)c(C)c1-c1ccccc1

HCID22244530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30b89463182b4cbc8817eae67c4e805c
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][c:2]1[n:3][n:4](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][CH2:21][NH:22][C:23]([O:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)=[O:31])[cH:18][cH:19]2)[c:5]([CH3:13])[c:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[CH3:32][S:33](=[O:34])(=[O:35])[c:36]1[cH:37][cH:38][c:39]([S:42](=[O:43])(=[O:44])[NH2:45])[cH:40][cH:41]1>>[CH3:1][c:2]1[n:3][n:4](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][CH2:21][NH:22][C:23](=[O:31])[NH:45][S:42]([c:39]3[cH:38][cH:37][c:36]([S:33]([CH3:32])(=[O:34])=[O:35])[cH:41][cH:40]3)(=[O:43])=[O:44])[cH:18][cH:19]2)[c:5]([CH3:13])[c:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1