HRID932392

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：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)cc1OC

HCID66697358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2dcf2693bc941e98c5091dd9b0f29f0
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

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.[CH3:29][O:30][c:31]1[cH:32][c:33]([B:41]([OH:42])[OH:43])[cH:34][cH:35][c:36]1[C:37](=[O:38])[O:39][CH3:40]>>[c:2]1(-[c:33]2[cH:32][c:31]([O:30][CH3:29])[c:36]([C:37](=[O:38])[O:39][CH3:40])[cH:35][cH:34]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