HRID316377

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID2773782

3-Chloro-2-fluoro-5-(trifluoromethyl)benzoyl chloride

C8H2Cl2F4O

HCID59135348

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1nnc(-c2ccc(Oc3cccnc3)cc2)o1)c1cc(C(F)(F)F)cc(Cl)c1F

HCID59135411

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0feaaf166b54c518c17e632e04accd4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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