HRID1697541

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2779182

4-(Trifluoromethyl)cyclohexanecarboxylic acid

C8H11F3O2

结构：Cl.N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3C(F)(F)F)CN2)CC1

HCID66770594

未命名化合物

PRODUCTS

生成物

结构：N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3C(F)(F)F)CN2C(=O)C2CCC(C(F)(F)F)CC2)CC1

HCID46946412

未命名化合物

PROCEDURE

实验过程

(2S,4R)-4-(2-trifluoromethyl-benzenesulfonyl)-pyrrolidine-2-carboxylic acid (1-cyano-cyclopropyl)-amide hydrochloride from experiment K5 was coupled with 4-(trifluoromethyl)-cyclohexane carboxylic acid in analogy to experiment A1 to give (2S,4R)-4-(2-trifluoromethyl-benzenesulfonyl)-1-(4-trifluoromethyl-cyclohexanecarbonyl)-pyrrolidine-2-carboxylic acid (1-cyano-cyclopropyl)-amide as a pale yellow oil. MS: 566.3 [M+H]+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5db352a2d8d447c58bb4464dbe882c7d
来源数据集: uspto-grants-2012_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08163793B2
来源说明: uspto-grants-2012_04

反应 SMILES

Cl.[C:2]([C:4]1([NH:7][C:8]([C@@H:10]2[CH2:14][C@@H:13]([S:15]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=3[C:24]([F:27])([F:26])[F:25])(=[O:17])=[O:16])[CH2:12][NH:11]2)=[O:9])[CH2:6][CH2:5]1)#[N:3].[F:28][C:29]([F:40])([F:39])[CH:30]1[CH2:35][CH2:34][CH:33]([C:36](O)=[O:37])[CH2:32][CH2:31]1>>[C:2]([C:4]1([NH:7][C:8]([C@@H:10]2[CH2:14][C@@H:13]([S:15]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=3[C:24]([F:27])([F:25])[F:26])(=[O:17])=[O:16])[CH2:12][N:11]2[C:36]([CH:33]2[CH2:32][CH2:31][CH:30]([C:29]([F:28])([F:39])[F:40])[CH2:35][CH2:34]2)=[O:37])=[O:9])[CH2:5][CH2:6]1)#[N:3]