HRID2157616

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID2775298

4-Methoxy-3-(trifluoromethyl)benzoyl chloride

C9H6ClF3O2

HCID59135348

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)Nc2nnc(-c3ccc(Oc4cccnc4)cc3)o2)cc1C(F)(F)F

HCID59135334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d7e37904d234ac695ed83bd9f01443c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[BrH:1].[CH3:21][O:22][c:23]1[c:24]([C:32]([F:33])([F:34])[F:35])[cH:25][c:26]([C:27](=[O:28])[Cl:29])[cH:30][cH:31]1.[CH3:42][OH:43].[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:27]([c:26]4[cH:25][c:24]([C:32]([F:33])([F:34])[F:35])[c:23]([O:22][CH3:21])[cH:31][cH:30]4)=[O:28])[o:19]3)[cH:13][cH:14]2)[cH:5][cH:6][cH:7]1