HRID113633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2777211

4-(Trifluoromethoxy)benzenesulfonamide

C7H6F3NO3S

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(OC(F)(F)F)cc3)cc2)c(C)c1-c1ccccc1

HCID10289728

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0959c933ab5466b94aa6fd61a57c37a
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:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)=[O:25])[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.[F:32][C:33]([O:34][c:35]1[cH:36][cH:37][c:38]([S:41](=[O:42])(=[O:43])[NH2:44])[cH:39][cH:40]1)([F:45])[F:46]>>[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])[NH:44][S:41]([c:38]3[cH:37][cH:36][c:35]([O:34][C:33]([F:32])([F:45])[F:46])[cH:40][cH:39]3)(=[O:42])=[O:43])[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