HRID1022521

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CC(C)(C)OC(=O)N[C@H](C(=O)O)C(c1ccccc1)c1ccccc1

HCID2761487

Boc-L-3,3-Diphenylalanine

C20H23NO4

结构：CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

HCID10529182

未命名化合物

结构：CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCO1

HCID89181604

未命名化合物

3 次

PRODUCTS

生成物

结构：CO[C@H]([C@@H](C)C(=O)N[C@H](C(=O)N1CCCCO1)C(c1ccccc1)c1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C

HCID89642541

未命名化合物

PROCEDURE

实验过程

The title compound was prepared analogously to the synthesis of Intermediates 5 and 6 in three steps by coupling commercially available N-(tert-butoxycarbonyl)-β-phenyl-L-phenylalanine with 1,2-oxazinane hydrochloride (Starting Material 5), subsequent deprotection with trifluoroacetic acid and another coupling with Starting Material 1. The end product was purified by preparative HPLC.

WORKUP

后处理

customThe end product was purified by preparative HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9d9148abc214fbd923cf0ea36947272
来源数据集: uspto-grants-2014_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08722629B2
来源说明: uspto-grants-2014_05

反应 SMILES

C(O[C:6](=[O:24])[NH:7][C@@H:8]([CH2:17][C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)[C:9]([N:11]1[CH2:16][CH2:15][CH2:14][CH2:13][O:12]1)=[O:10])(C)(C)C.[C:25]([O:29][C:30]([NH:32][C@H:33](C(O)=O)[CH:34]([C:41]1[CH:46]=[CH:45][CH:44]=[CH:43]C=1)C1C=CC=CC=1)=[O:31])([CH3:28])([CH3:27])[CH3:26].FC(F)(F)[C:52](O)=[O:53].C(OC(N[C@H](C(N(C)[C@@H]([C@@H](C)CC)[C@H](OC)CC(OC(C)(C)C)=O)=O)C(C)C)=O)[C:58]1[CH:63]=[CH:62][CH:61]=[CH:60][CH:59]=1>>[CH3:52][O:53][C@@H:45]([C@@H:46]1[CH2:41][CH2:34][CH2:33][N:32]1[C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:31])[C@@H:44]([CH3:43])[C:6]([NH:7][C@@H:8]([CH:17]([C:18]1[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=1)[C:58]1[CH:59]=[CH:60][CH:61]=[CH:62][CH:63]=1)[C:9]([N:11]1[CH2:16][CH2:15][CH2:14][CH2:13][O:12]1)=[O:10])=[O:24]