HRID177020

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccnc(-c3cccc(S(=O)(=O)NC(C)(C)C)c3)c2)c1

HCID68693830

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccnc(-c3cccc(S(N)(=O)=O)c3)c2)c1

HCID68691467

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3ee36586cad45ad8041eb3885e0dd84
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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