HRID151550

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：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(OC)c3)cc2Cl)C(F)(F)F)ccc1=O

HCID66782690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1f2e1bf72494430a24d3fa8c0e4127e
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.[CH3:26][O:27][c:28]1[cH:29][c:30]([B:38]([OH:39])[OH:40])[cH:31][cH:32][c:33]1[C:34](=[O:35])[O:36][CH3:37]>>[c:2]1(-[c:30]2[cH:29][c:28]([O:27][CH3:26])[c:33]([C:34](=[O:35])[O:36][CH3:37])[cH:32][cH:31]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