HRID2403178

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)c3ccccc3Cl)CN2)CC1

HCID46946413

未命名化合物

结构：O=C([O-])C1CCN1C1CCN(CC(F)(F)F)CC1.[Li+]

HCID86692769

未命名化合物

PRODUCTS

生成物

结构：N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3Cl)CN2C(=O)C2CCN2C2CCN(CC(F)(F)F)CC2)CC1

HCID71711973

未命名化合物

PROCEDURE

实验过程

The reaction of (2S,4R)-4-(2-chlorophenylsulfonyl)-N-(1-cyanocyclopropyl)pyrrolidine-2-carboxamide 7H and lithium 1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)azetidine-2-carboxylate 20G carried out according to the general procedure L yielded (2S,4R)-4-(2-chlorophenylsulfonyl)-N-(1-cyanocyclopropyl)-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)azetidine-2-carbonyl)pyrrolidine-2-carboxamide 1:1 epimers as an off-white solid (65%). MS ISP (m/e): 602.3 (100) [(M+H)]]+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d267320b4554f7fb4f5db7d2638a5e0
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

[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[S:8]([C@H:11]1[CH2:15][NH:14][C@H:13]([C:16]([NH:18][C:19]2([C:22]#[N:23])[CH2:21][CH2:20]2)=[O:17])[CH2:12]1)(=[O:10])=[O:9].[F:24][C:25]([F:41])([F:40])[CH2:26][N:27]1[CH2:32][CH2:31][CH:30]([N:33]2[CH2:36][CH2:35][CH:34]2[C:37]([O-])=[O:38])[CH2:29][CH2:28]1.[Li+]>>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[S:8]([C@H:11]1[CH2:15][N:14]([C:37]([CH:34]2[CH2:35][CH2:36][N:33]2[CH:30]2[CH2:29][CH2:28][N:27]([CH2:26][C:25]([F:40])([F:24])[F:41])[CH2:32][CH2:31]2)=[O:38])[C@H:13]([C:16]([NH:18][C:19]2([C:22]#[N:23])[CH2:21][CH2:20]2)=[O:17])[CH2:12]1)(=[O:10])=[O:9]