HRID2403214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3cccc(C(F)(F)F)c3)CN2)CC1

HCID86692786

(2S,4R)-N-(1-cyanocyclopropyl)-4-(3-(trifluoromethyl)phenylsulfonyl)pyrrolidine-2-carboxamide

C16H16F3N3O3S

HCID86692787

未命名化合物

PRODUCTS

生成物

结构：N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3cccc(C(F)(F)F)c3)CN2C(=O)C2(N3CCCCC3)CC2)CC1

HCID71711362

未命名化合物

收率 56%

PROCEDURE

实验过程

The reaction of (2S,4R)-N-(1-cyanocyclopropyl)-4-(3-(trifluoromethyl)phenylsulfonyl)pyrrolidine-2-carboxamide 7E with 1-(piperidin-1-yl)cyclopropanecarboxylic acid hydrochloride 16A carried out according to the general procedure L yielded (2S,4R)-N-(1-cyanocyclopropyl)-1-(1-(piperidin-1-yl)cyclopropanecarbonyl)-4-(3-(trifluoromethyl)phenylsulfonyl)pyrrolidine-2-carboxamide as a light yellow solid (56%). MS ISP (m/e): 539.3 (100) [(M+H)]+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21e390bc8bd842ad93a6bceb7abe845c
来源数据集: uspto-grants-2014_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08802665B2
来源说明: uspto-grants-2014_08

反应 SMILES

[C:1]([C:3]1([NH:6][C:7]([C@@H:9]2[CH2:13][C@@H:12]([S:14]([C:17]3[CH:22]=[CH:21][CH:20]=[C:19]([C:23]([F:26])([F:25])[F:24])[CH:18]=3)(=[O:16])=[O:15])[CH2:11][NH:10]2)=[O:8])[CH2:5][CH2:4]1)#[N:2].Cl.[N:28]1([C:34]2([C:37](O)=[O:38])[CH2:36][CH2:35]2)[CH2:33][CH2:32][CH2:31][CH2:30][CH2:29]1>>[C:1]([C:3]1([NH:6][C:7]([C@@H:9]2[CH2:13][C@@H:12]([S:14]([C:17]3[CH:22]=[CH:21][CH:20]=[C:19]([C:23]([F:26])([F:24])[F:25])[CH:18]=3)(=[O:16])=[O:15])[CH2:11][N:10]2[C:37]([C:34]2([N:28]3[CH2:33][CH2:32][CH2:31][CH2:30][CH2:29]3)[CH2:35][CH2:36]2)=[O:38])=[O:8])[CH2:4][CH2:5]1)#[N:2]