HRID553697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11277257

ethyl 2-(4-bromophenyl)-2-methylpropanoate

C12H15BrO2

结构：Cc1noc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1NC(=O)OC(C)c1ccccc1F

HCID67352155

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)c1ccc(-c2ccc(-c3onc(C)c3NC(=O)OC(C)c3ccccc3F)cc2)cc1

HCID67351644

未命名化合物

PROCEDURE

实验过程

Prepared as described in Example 36, Step 6 using {3-methyl-5-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-isoxazol-4-yl}-carbamic acid 1-(2-fluoro-phenyl)-ethyl ester and 2-(4-bromo-phenyl)-2-methyl-propionic acid ethyl ester; purification by preparative HPLC was utilized.

WORKUP

后处理

customPrepared
custompurification by preparative HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5da575552344dd2a66cb87591df1846
来源数据集: uspto-grants-2011_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08048902B2
来源说明: uspto-grants-2011_11

反应 SMILES

[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH:8]([O:10][C:11](=[O:34])[NH:12][C:13]1[C:14]([CH3:33])=[N:15][O:16][C:17]=1[C:18]1[CH:23]=[CH:22][C:21](B2OC(C)(C)C(C)(C)O2)=[CH:20][CH:19]=1)[CH3:9].[CH2:35]([O:37][C:38](=[O:49])[C:39]([C:42]1[CH:47]=[CH:46][C:45](Br)=[CH:44][CH:43]=1)([CH3:41])[CH3:40])[CH3:36]>>[CH2:35]([O:37][C:38](=[O:49])[C:39]([C:42]1[CH:47]=[CH:46][C:45]([C:21]2[CH:22]=[CH:23][C:18]([C:17]3[O:16][N:15]=[C:14]([CH3:33])[C:13]=3[NH:12][C:11]([O:10][CH:8]([C:3]3[CH:4]=[CH:5][CH:6]=[CH:7][C:2]=3[F:1])[CH3:9])=[O:34])=[CH:19][CH:20]=2)=[CH:44][CH:43]=1)([CH3:41])[CH3:40])[CH3:36]