HRID185004

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID44558185

(4-Fluoro-3-methoxyphenyl)boronic acid

C7H8BFO3

结构：CC(c1ccc(Br)cc1Cl)C(O)(c1cc(F)c2c(c1)N(C)C(=O)CO2)C(F)(F)F

HCID86645868

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2ccc(C(C)C(O)(c3cc(F)c4c(c3)N(C)C(=O)CO4)C(F)(F)F)c(Cl)c2)ccc1F

HCID86645869

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa27e14770584c65a01b8e9f05aa9adc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([Cl:29])[c:5]([CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]2[cH:16][c:17]([F:27])[c:18]3[c:19]([cH:26]2)[N:20]([CH3:25])[C:21](=[O:24])[CH2:22][O:23]3)[CH3:28])[cH:6][cH:7]1.[F:30][c:31]1[c:32]([O:40][CH3:41])[cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1>>[c:2]1(-[c:34]2[cH:33][c:32]([O:40][CH3:41])[c:31]([F:30])[cH:36][cH:35]2)[cH:3][c:4]([Cl:29])[c:5]([CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]2[cH:16][c:17]([F:27])[c:18]3[c:19]([cH:26]2)[N:20]([CH3:25])[C:21](=[O:24])[CH2:22][O:23]3)[CH3:28])[cH:6][cH:7]1