HRID1158362

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COCCCOc1cc(C(=O)N(C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C2CC2)C(C)C)ccc1OC

HCID68618278

未命名化合物

PRODUCTS

生成物

结构：COCCCOc1cc(C(=O)N(C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN(C(=O)Cc2cccc(N)c2)C2CC2)C(C)C)ccc1OC

HCID68617160

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID935

Nickel

PROCEDURE

实验过程

At RT H2 is passed through a suspension of (3R*,4R*)-3-({cyclopropyl-[2-(3-nitro-phenyl)-acetyl]-amino}-methyl)-4-({isopropyl-[4-methoxy-3-(3-methoxy-propoxy)-benzoyl]-amino}-methyl)-pyrrolidine-1-carboxylic acid tert-butyl ester (660 mg, 0.95 mmol) and Raney-Ni (100 mg) for several hours. After completion of the reaction the mixture is filtered over Celite and the solvent is evaporated to give the title compound which is used without further purification. MS (LC-MS): 667.0 [M+H]+; tR (HPLC, Macherey-Nagel Nucleosil C18 column, 10-100% CH3CN/H2O/5 min, 100% CH3CN/3 min, CH3CN and H2O containing 0.1% TFA, flow: 1.5 mL/min): 5.33 min.

WORKUP

后处理

customAfter completion of the reaction the mixture
filtrationis filtered over Celite
customthe solvent is evaporated

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae16dedc2cf1457c95ba8f98acb37ae6
来源数据集: uspto-grants-2010_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07807709B2
来源说明: uspto-grants-2010_10

反应 SMILES

[C:1]([O:5][C:6]([N:8]1[CH2:12][C@@H:11]([CH2:13][N:14]([CH:31]([CH3:33])[CH3:32])[C:15](=[O:30])[C:16]2[CH:21]=[CH:20][C:19]([O:22][CH3:23])=[C:18]([O:24][CH2:25][CH2:26][CH2:27][O:28][CH3:29])[CH:17]=2)[C@H:10]([CH2:34][N:35]([CH:48]2[CH2:50][CH2:49]2)[C:36](=[O:47])[CH2:37][C:38]2[CH:43]=[CH:42][CH:41]=[C:40]([N+:44]([O-])=O)[CH:39]=2)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2]>[Ni]>[C:1]([O:5][C:6]([N:8]1[CH2:12][C@@H:11]([CH2:13][N:14]([CH:31]([CH3:33])[CH3:32])[C:15](=[O:30])[C:16]2[CH:21]=[CH:20][C:19]([O:22][CH3:23])=[C:18]([O:24][CH2:25][CH2:26][CH2:27][O:28][CH3:29])[CH:17]=2)[C@H:10]([CH2:34][N:35]([C:36](=[O:47])[CH2:37][C:38]2[CH:43]=[CH:42][CH:41]=[C:40]([NH2:44])[CH:39]=2)[CH:48]2[CH2:49][CH2:50]2)[CH2:9]1)=[O:7])([CH3:3])([CH3:4])[CH3:2]