HRID1571010

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：CC(c1ccc(Br)cc1Cl)C(O)(c1ccc2c(c1)N(C)C(=O)CO2)C(F)(F)F

HCID66697186

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ccc(C(C)C(O)(c3ccc4c(c3)N(C)C(=O)CO4)C(F)(F)F)c(Cl)c2)cc1F

HCID66697271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8050f65b3ff4433091b52f1e06c9931c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([Cl:28])[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]3[c:19]([cH:26]2)[N:20]([CH3:25])[C:21](=[O:24])[CH2:22][O:23]3)[CH3:27])[cH:6][cH:7]1.[F:29][c:30]1[cH:31][c:32]([B:40]([OH:41])[OH:42])[cH:33][cH:34][c:35]1[C:36](=[O:37])[O:38][CH3:39]>>[c:2]1(-[c:32]2[cH:31][c:30]([F:29])[c:35]([C:36](=[O:37])[O:38][CH3:39])[cH:34][cH:33]2)[cH:3][c:4]([Cl:28])[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]3[c:19]([cH:26]2)[N:20]([CH3:25])[C:21](=[O:24])[CH2:22][O:23]3)[CH3:27])[cH:6][cH:7]1