HRID1233628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

结构：O=C(Nc1nc(-c2ccccn2)c(-c2cccc(C(F)(F)F)c2)s1)c1c(F)cccc1F

HCID24765973

未命名化合物

HCID178491923

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2nc(NC(=O)c3c(F)cccc3F)sc2-c2cccc(C(F)(F)F)c2)cc1OC

HCID59004540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab10bd2f3b924ca698f7372d3368f464
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

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