HRID291424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3090044

1,3-BENZENEDISULFONAMIDE

C6H8N2O4S2

结构：Cc1c(-c2ccccc2)c(C(F)(F)F)nn1-c1ccc(CCNC(=O)Oc2ccccc2)cc1

HCID22244671

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccccc2)c(C(F)(F)F)nn1-c1ccc(CCNC(=O)NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1

HCID22244705

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8715bde52bbd45d88108a9e2d1ab5d7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][c:2]1[c:3](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:4]([C:25]([F:26])([F:27])[F:28])[n:5][n:6]1-[c:7]1[cH:8][cH:9][c:10]([CH2:13][CH2:14][NH:15][C:16]([O:17][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)=[O:18])[cH:11][cH:12]1.[c:35]1([S:45](=[O:46])(=[O:47])[NH2:48])[cH:36][c:37]([S:41](=[O:42])(=[O:43])[NH2:44])[cH:38][cH:39][cH:40]1>>[CH3:1][c:2]1[c:3](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:4]([C:25]([F:26])([F:27])[F:28])[n:5][n:6]1-[c:7]1[cH:8][cH:9][c:10]([CH2:13][CH2:14][NH:15][C:16](=[O:17])[NH:44][S:41]([c:37]2[cH:36][c:35]([S:45](=[O:46])(=[O:47])[NH2:48])[cH:40][cH:39][cH:38]2)(=[O:42])=[O:43])[cH:11][cH:12]1