HRID942776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID17750256

[3-Methoxy-4-(methoxycarbonyl)phenyl]boronic acid

C9H11BO5

结构：CC(c1ccc(Br)cc1Cl)C(O)(c1ccc(=O)n(C)c1)C(F)(F)F

HCID57421320

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ccc(C(C)C(O)(c3ccc(=O)n(C)c3)C(F)(F)F)c(Cl)c2)cc1OC

HCID66783142

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61758cf7bcaf43cf84e78acb5debfb9e
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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