HRID157833

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2782818

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

C8H8BFO4

结构：CCn1cc(C(O)(C(C)c2ccc(Br)cc2Cl)C(F)(F)F)ccc1=O

HCID57421323

未命名化合物

PRODUCTS

生成物

结构：CCn1cc(C(O)(C(C)c2ccc(-c3ccc(C(=O)OC)c(F)c3)cc2Cl)C(F)(F)F)ccc1=O

HCID66782741

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71ea9715fc794737ba3986ee76b57017
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([Cl:25])[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:23])[n:19]([CH2:21][CH3:22])[cH:20]2)[CH3:24])[cH:6][cH:7]1.[F: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]([F:26])[c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:31][cH:30]2)[cH:3][c:4]([Cl:25])[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:23])[n:19]([CH2:21][CH3:22])[cH:20]2)[CH3:24])[cH:6][cH:7]1