HRID314571

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)oc(=O)n2C)C(F)(F)F

HCID66697011

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ccc(C(C)C(O)(c3ccc4c(c3)oc(=O)n4C)C(F)(F)F)c(Cl)c2)cc1F

HCID66697142

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f50f057a6934fb4a23e76ed4c0ebf2a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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][c:17]3[c:18]([n:19]([CH3:23])[c:20](=[O:22])[o:21]3)[cH:24][cH:25]2)[CH3:26])[cH:6][cH:7]1.[F:28][c:29]1[cH:30][c:31]([B:39]([OH:40])[OH:41])[cH:32][cH:33][c:34]1[C:35](=[O:36])[O:37][CH3:38]>>[c:2]1(-[c:31]2[cH:30][c:29]([F:28])[c:34]([C:35](=[O:36])[O:37][CH3:38])[cH:33][cH:32]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][c:17]3[c:18]([n:19]([CH3:23])[c:20](=[O:22])[o:21]3)[cH:24][cH:25]2)[CH3:26])[cH:6][cH:7]1