HRID1201927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3090044

1,3-BENZENEDISULFONAMIDE

C6H8N2O4S2

结构：Cc1nn(-c2ccc(CCNC(=O)Oc3ccccc3)cn2)c(C)c1-c1ccccc1

HCID22244603

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(-c2ccc(CCNC(=O)NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)cn2)c(C)c1-c1ccccc1

HCID22244541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00fcaabae73a4c9d891bf61162220f46
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

[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][n:19]2)[c:5]([CH3:13])[c:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[c:32]1([S:42](=[O:43])(=[O:44])[NH2:45])[cH:33][c:34]([S:38](=[O:39])(=[O:40])[NH2:41])[cH:35][cH:36][cH:37]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:32]3[cH:33][c:34]([S:38](=[O:39])(=[O:40])[NH2:41])[cH:35][cH:36][cH:37]3)(=[O:43])=[O:44])[cH:18][n:19]2)[c:5]([CH3:13])[c:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1