HRID1367536

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734346

3,5-Dimethylisoxazole-4-boronic acid

C5H8BNO3

结构：CC(C)O[C@H]1C[C@@H](S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C[C@@H]1C(=O)NC1(C#N)CC1

HCID59619427

未命名化合物

结构：CO[C@H]1C[C@@H](S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C[C@@H]1C(=O)NC1(C#N)CC1

HCID59619475

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(C)c1-c1ccc(S(=O)(=O)[C@@H]2C[C@H](OC(C)C)[C@@H](C(=O)NC3(C#N)CC3)C2)c(C(F)(F)F)c1

HCID59619448

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to example 62 using 3,5-dimethyl-isoxazole-4-boronic acid instead of 2.4-difluorophenylboronic acid and (1R,2R,4R) and (1S,2S,4S)-4-(4-bromo-2-trifluoromethyl-benzenesulfonyl)-2-isopropoxy-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide instead of (1R,2R,4R) and (1S,2S,4S)-4-(4-bromo-2-trifluoromethyl-benzenesulfonyl)-2-methoxy-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide. White solid. MS (EI): 538.2 (M−H)−.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ffeaae040514307baa18badd01106ef
来源数据集: uspto-grants-2011_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07893099B2
来源说明: uspto-grants-2011_02

反应 SMILES

[CH3:1][C:2]1[C:6](B(O)O)=[C:5]([CH3:10])[O:4][N:3]=1.[C:11]([C:13]1([NH:16][C:17]([C@H:19]2[CH2:23][C@H:22]([S:24]([C:27]3[CH:32]=[CH:31][C:30](Br)=[CH:29][C:28]=3[C:34]([F:37])([F:36])[F:35])(=[O:26])=[O:25])[CH2:21][C@@H:20]2[O:38][CH:39]([CH3:41])[CH3:40])=[O:18])[CH2:15][CH2:14]1)#[N:12].C(C1(NC([C@H]2C[C@H](S(C3C=CC(Br)=CC=3C(F)(F)F)(=O)=O)C[C@@H]2OC)=O)CC1)#N>>[C:11]([C:13]1([NH:16][C:17]([C@H:19]2[CH2:23][C@H:22]([S:24]([C:27]3[CH:32]=[CH:31][C:30]([C:6]4[C:2]([CH3:1])=[N:3][O:4][C:5]=4[CH3:10])=[CH:29][C:28]=3[C:34]([F:37])([F:35])[F:36])(=[O:26])=[O:25])[CH2:21][C@@H:20]2[O:38][CH:39]([CH3:41])[CH3:40])=[O:18])[CH2:15][CH2:14]1)#[N:12]