HRID1970482

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(OCC(=O)N3CCC(C(=O)OCc4ccccc4)C3)n(-c3ccccc3)n2)CC1

HCID66855276

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(OCC(=O)N3CCC(C(=O)O)C3)n(-c3ccccc3)n2)CC1

HCID66854795

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID23938

Palladium

溶剂HCID8857

Ethyl acetate

C4H8O2

PROCEDURE

实验过程

To a solution of 2.32 g 4-[(S)-2-({5-[2-(3-benzyloxycarbonyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-4-tert-butoxycarbonyl-butyryl]-piperazine-1-carboxylic acid ethyl ester in 50 ml ethyl acetate was added 1.0 g Pd/C (10%) and the suspension stirred under an atmosphere of hydrogen (3 bar) for 24 h. The reaction mixture was filtrated over a plug of Celite, washed with ethyl acetate and concentrated.

WORKUP

后处理

filtrationThe reaction mixture was filtrated over a plug of Celite
washwashed with ethyl acetate
concentrationconcentrated

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03b00b0399d945779585400c283dae7a
来源数据集: uspto-grants-2013_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08426420B2
来源说明: uspto-grants-2013_04

反应 SMILES

[CH2:1]([O:3][C:4]([N:6]1[CH2:11][CH2:10][N:9]([C:12](=[O:56])[C@@H:13]([NH:23][C:24]([C:26]2[CH:30]=[C:29]([O:31][CH2:32][C:33]([N:35]3[CH2:39][CH2:38][CH:37]([C:40]([O:42]CC4C=CC=CC=4)=[O:41])[CH2:36]3)=[O:34])[N:28]([C:50]3[CH:55]=[CH:54][CH:53]=[CH:52][CH:51]=3)[N:27]=2)=[O:25])[CH2:14][CH2:15][C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:8][CH2:7]1)=[O:5])[CH3:2]>C(OCC)(=O)C.[Pd]>[CH2:1]([O:3][C:4]([N:6]1[CH2:7][CH2:8][N:9]([C:12](=[O:56])[C@@H:13]([NH:23][C:24]([C:26]2[CH:30]=[C:29]([O:31][CH2:32][C:33]([N:35]3[CH2:39][CH2:38][CH:37]([C:40]([OH:42])=[O:41])[CH2:36]3)=[O:34])[N:28]([C:50]3[CH:55]=[CH:54][CH:53]=[CH:52][CH:51]=3)[N:27]=2)=[O:25])[CH2:14][CH2:15][C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:10][CH2:11]1)=[O:5])[CH3:2]