HRID1908649

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)CC[C@H](NC(=O)c1cc(OCC(=O)C(C)(C)C)n(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1

HCID66920112

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CC[C@H](NC(=O)c1cc(OCC(=O)C(C)(C)C)n(-c2ccccc2)n1)C(=O)N1CCNCC1

HCID66920033

未命名化合物

收率 115.7%

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID23938

Palladium

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

To a solution of 4.4 g 4-((S)-4-tert-Butoxycarbonyl-2-{[5-(3,3-dimethyl-2-oxo-butoxy)-1-phenyl-1H-pyrazole-3-carbonyl]-amino}-butyryl)-piperazine-1-carboxylic acid benzyl ester in 40 ml ethanol were added 0.9 g Pd/C (10%) and the suspension stirred under an atmosphere of hydrogen (3 bar) for 24 h. It was filtrated, washed with ethanol and the solvent evaporated to give the title compound as colorless oil (4.1 g).

WORKUP

后处理

filtrationIt was filtrated
washwashed with ethanol
customthe solvent evaporated

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cafd9a65cf94b8081a84c43cd1b8d49
来源数据集: uspto-grants-2013_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08598179B2
来源说明: uspto-grants-2013_12

反应 SMILES

C(OC([N:11]1[CH2:16][CH2:15][N:14]([C:17](=[O:50])[C@@H:18]([NH:28][C:29]([C:31]2[CH:35]=[C:34]([O:36][CH2:37][C:38](=[O:43])[C:39]([CH3:42])([CH3:41])[CH3:40])[N:33]([C:44]3[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=3)[N:32]=2)=[O:30])[CH2:19][CH2:20][C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:22])[CH2:13][CH2:12]1)=O)C1C=CC=CC=1>C(O)C.[Pd]>[C:24]([O:23][C:21](=[O:22])[CH2:20][CH2:19][C@H:18]([NH:28][C:29]([C:31]1[CH:35]=[C:34]([O:36][CH2:37][C:38](=[O:43])[C:39]([CH3:40])([CH3:41])[CH3:42])[N:33]([C:44]2[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=2)[N:32]=1)=[O:30])[C:17](=[O:50])[N:14]1[CH2:15][CH2:16][NH:11][CH2:12][CH2:13]1)([CH3:25])([CH3:26])[CH3:27]