HRID1697596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15538

tert-Butyl 3-oxobutanoate

C8H14O3

结构：COC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CN1

HCID66770389

未命名化合物

结构：COC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CN1C(=O)CC(C)=O

HCID86646828

未命名化合物

结构：COC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(OCC(F)(F)F)cc2C(F)(F)F)CN1

HCID86646838

未命名化合物

PRODUCTS

生成物

结构：COC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(OCC(F)(F)F)cc2C(F)(F)F)CN1C(=O)CC(C)=O

HCID86646840

未命名化合物

PROCEDURE

实验过程

In analogy to the procedure described in example 192f, (2S,4R)-4-[4-(2,2,2-trifluoro-ethoxy)-2-trifluoromethyl-benzenesulfonyl]-pyrrolidine-2-carboxylic acid methyl ester containing (2S,4R)-4-(4-fluoro-2-trifluoromethyl-benzenesulfonyl)-pyrrolidine-2-carboxylic acid methyl ester was reacted with tert-butyl acetoacetate to give a mixture of the title compound and (2S,4R)-4-(4-fluoro-2-trifluoromethyl-benzenesulfonyl)-1-(3-oxo-butyryl)-pyrrolidine-2-carboxylic acid methyl ester as colorless oil. MS (ESI): m/z=520.2 [M+H]+.

WORKUP

后处理

customto give

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9d0f16222914d1a859401d0b22fd9f0
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

[CH3:1][O:2][C:3]([C@@H:5]1[CH2:9][C@@H:8]([S:10]([C:13]2[CH:18]=[CH:17][C:16]([O:19][CH2:20][C:21]([F:24])([F:23])[F:22])=[CH:15][C:14]=2[C:25]([F:28])([F:27])[F:26])(=[O:12])=[O:11])[CH2:7][NH:6]1)=[O:4].COC([C@@H]1C[C@@H](S(C2C=CC(F)=CC=2C(F)(F)F)(=O)=O)CN1)=O.[C:52](OC(C)(C)C)(=[O:57])[CH2:53][C:54]([CH3:56])=[O:55].COC([C@@H]1C[C@@H](S(C2C=CC(F)=CC=2C(F)(F)F)(=O)=O)CN1C(=O)CC(=O)C)=O>>[CH3:1][O:2][C:3]([C@@H:5]1[CH2:9][C@@H:8]([S:10]([C:13]2[CH:18]=[CH:17][C:16]([O:19][CH2:20][C:21]([F:22])([F:23])[F:24])=[CH:15][C:14]=2[C:25]([F:26])([F:28])[F:27])(=[O:12])=[O:11])[CH2:7][N:6]1[C:52](=[O:57])[CH2:53][C:54](=[O:55])[CH3:56])=[O:4]