HRID2403188

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](Sc3ccccc3OC(F)(F)F)CN2)CC1

HCID86692747

未命名化合物

结构：CCOC(=O)N1CCC(N2CCC2C(=O)[O-])CC1.[Li+]

HCID86692776

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N1CCC(N2CCC2C(=O)N2C[C@H](Sc3ccccc3OC(F)(F)F)C[C@H]2C(=O)NC2(C#N)CC2)CC1

HCID71712112

未命名化合物

PROCEDURE

实验过程

The reaction of (2S,4R)-N-(1-cyanocyclopropyl)-4-(2-(trifluoromethoxy)phenylthio)pyrrolidine-2-carboxamide 12D and lithium 1-(1-(ethoxycarbonyl)piperidin-4-yl)azetidine-2-carboxylate 20J carried out according to the general procedure L yielded ethyl 4-(2-((2S,4R)-2-(1-cyanocyclopropylcarbamoyl)-4-(2-(trifluoromethoxy)phenylthio)pyrrolidine-1-carbonyl)azetidin-1-yl)piperidine-1-carboxylate 1:1 epimers as a white solid (70%). MS ISP (m/e): 610.3 (100) [(M+H)]+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09a00dbd22114ac69f599b56d969124f
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:15]3[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=3[O:21][C:22]([F:25])([F:24])[F:23])[CH2:11][NH:10]2)=[O:8])[CH2:5][CH2:4]1)#[N:2].[CH2:26]([O:28][C:29]([N:31]1[CH2:36][CH2:35][CH:34]([N:37]2[CH2:40][CH2:39][CH:38]2[C:41]([O-])=[O:42])[CH2:33][CH2:32]1)=[O:30])[CH3:27].[Li+]>>[C:1]([C:3]1([NH:6][C:7]([C@@H:9]2[CH2:13][C@@H:12]([S:14][C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=3[O:21][C:22]([F:25])([F:23])[F:24])[CH2:11][N:10]2[C:41]([CH:38]2[CH2:39][CH2:40][N:37]2[CH:34]2[CH2:33][CH2:32][N:31]([C:29]([O:28][CH2:26][CH3:27])=[O:30])[CH2:36][CH2:35]2)=[O:42])=[O:8])[CH2:4][CH2:5]1)#[N:2]