HRID1185509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3ccc(C)cc3c2)CC1

HCID68596971

未命名化合物

PRODUCTS

生成物

结构：CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3ccc(C)cc3c2)CC1

HCID68597627

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

To a solution of 1.5 g 4-[(S)-4-tert-Butoxycarbonyl-2-({4-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-7-methyl-naphthalene-2-carbonyl}-amino)-butyryl]-piperazine-1-carboxylic acid butyl ester in 10 ml dichloromethane were added 1.1 g TFA. After 3 h stirring at RT the solvents were removed and the residue was codistilled twice with toluene. The crude product was purified by preparative HPLC (C18 reverse phase column, elution with a water/MeCN gradient with 0.1% TFA). Yield: 970 mg MS (ES+): m/e=708.

WORKUP

后处理

customwere removed
customThe crude product was purified by preparative HPLC (
washC18 reverse phase column, elution with a water/MeCN gradient with 0.1% TFA)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0cbc3b5bd1041c7843ba7f8688b7f3e
来源数据集: uspto-grants-2014_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08669266B2
来源说明: uspto-grants-2014_03

反应 SMILES

[CH2:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14](=[O:55])[C@@H:15]([NH:25][C:26]([C:28]2[CH:37]=[C:36]([O:38][CH2:39][C:40]([N:42]3[CH2:46][CH2:45][CH2:44][C@H:43]3[C:47](=[O:53])[NH:48][CH:49]3[CH2:52][CH2:51][CH2:50]3)=[O:41])[C:35]3[C:30](=[CH:31][C:32]([CH3:54])=[CH:33][CH:34]=3)[CH:29]=2)=[O:27])[CH2:16][CH2:17][C:18]([O:20]C(C)(C)C)=[O:19])[CH2:10][CH2:9]1)=[O:7])[CH2:2][CH2:3][CH3:4].C(O)(C(F)(F)F)=O>ClCCl>[CH2:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14](=[O:55])[C@@H:15]([NH:25][C:26]([C:28]2[CH:37]=[C:36]([O:38][CH2:39][C:40]([N:42]3[CH2:46][CH2:45][CH2:44][C@H:43]3[C:47](=[O:53])[NH:48][CH:49]3[CH2:52][CH2:51][CH2:50]3)=[O:41])[C:35]3[C:30](=[CH:31][C:32]([CH3:54])=[CH:33][CH:34]=3)[CH:29]=2)=[O:27])[CH2:16][CH2:17][C:18]([OH:20])=[O:19])[CH2:10][CH2:9]1)=[O:7])[CH2:2][CH2:3][CH3:4]