HRID1131703

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(-c3ccc(S(=O)(=O)NC(C)(C)C)s3)c2)c1

HCID68697158

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccnc(-c3ccc(S(N)(=O)=O)s3)c2)c1

HCID68693970

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26494b0d9aa5489aa745a8a3b10f7c07
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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