HRID1225333

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2808718

3-cyanobenzenesulfonamide

C7H6N2O2S

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)c3cccc(C#N)c3)cc2)c(C)c1-c1ccccc1

HCID22244590

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4e76ddcb36f444bba8c96d207071940
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:32](#[N:33])[c:34]1[cH:35][c:36]([S:40](=[O:41])(=[O:42])[NH2:43])[cH:37][cH:38][cH:39]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: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>>[CH3:1][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:43][S:40]([c:36]3[cH:35][c:34]([C:32]#[N:33])[cH:39][cH:38][cH:37]3)(=[O:41])=[O:42])[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