HRID1234235

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：COc1cc(-c2cc(C)nc(-c3ccnc(-c4ccc(S(=O)(=O)NC(C)(C)C)s4)c3)c2)ccc1C(F)(F)F

HCID24759949

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2cc(C)nc(-c3ccnc(-c4ccc(S(N)(=O)=O)s4)c3)c2)ccc1C(F)(F)F

HCID24759951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8128bdd124b74251a435f7a69708dd81
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

[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]([CH3:38])[cH:23][c:24](-[c:26]4[cH:27][c:28]([O:36][CH3:37])[c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]4)[cH:25]3)[cH:19]2)[cH:12][cH:13]1.[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45]>>[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]([CH3:38])[cH:23][c:24](-[c:26]4[cH:27][c:28]([O:36][CH3:37])[c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]4)[cH:25]3)[cH:19]2)[cH:12][cH:13]1