HRID1238536

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24824345

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

C8H8BFO4

结构：CC(c1ccc(Br)cc1Cl)C(O)(c1ccc2oc(=O)n(C)c2c1)C(F)(F)F

HCID66696981

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ccc(C(C)C(O)(c3ccc4oc(=O)n(C)c4c3)C(F)(F)F)c(Cl)c2)c(F)c1

HCID66696990

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c64ec1bf8ee74095a89a4afed4e88418
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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