HRID446611

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2760952

3-(Methylamino)propanoic acid, N-BOC protected

C9H17NO4

结构：CNc1ccc(N(CCCCCC(=O)N(C)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)C(=O)OCc2ccccc2)cc1

HCID66671650

未命名化合物

PRODUCTS

生成物

结构：CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)CCCCCN(C(=O)OCc1ccccc1)c1ccc(N(C)C(=O)CCN(C)C(=O)OC(C)(C)C)cc1

HCID66793891

未命名化合物

收率 112.2%

PROCEDURE

实验过程

N-(tert-Butoxycarbonyl)-N-methyl-β-alanine (41 mg, 0.19 mmol) and the compound (150 mg, 0.21 mmol) obtained in Example 97c were used to give the title compound (190 mg; yield, 100%) as a white solid according to the method described in Example 41a.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12c2398d6613446e8a7cfb7e548cb84f
来源数据集: uspto-grants-2013_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08476253B2
来源说明: uspto-grants-2013_07

反应 SMILES

[C:1]([O:5][C:6]([N:8]([CH3:14])[CH2:9][CH2:10][C:11]([OH:13])=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].[C:15]1([C:61]2[CH:66]=[CH:65][CH:64]=[CH:63][CH:62]=2)[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=1[NH:21][C:22]([O:24][CH:25]1[CH2:30][CH2:29][N:28]([CH2:31][CH2:32][N:33]([CH3:60])[C:34](=[O:59])[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][N:40]([C:51]2[CH:56]=[CH:55][C:54]([NH:57][CH3:58])=[CH:53][CH:52]=2)[C:41](=[O:50])[O:42][CH2:43][C:44]2[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=2)[CH2:27][CH2:26]1)=[O:23]>>[C:15]1([C:61]2[CH:66]=[CH:65][CH:64]=[CH:63][CH:62]=2)[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=1[NH:21][C:22]([O:24][CH:25]1[CH2:26][CH2:27][N:28]([CH2:31][CH2:32][N:33]([CH3:60])[C:34](=[O:59])[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][N:40]([C:51]2[CH:56]=[CH:55][C:54]([N:57]([C:11](=[O:13])[CH2:10][CH2:9][N:8]([C:6]([O:5][C:1]([CH3:2])([CH3:3])[CH3:4])=[O:7])[CH3:14])[CH3:58])=[CH:53][CH:52]=2)[C:41](=[O:50])[O:42][CH2:43][C:44]2[CH:45]=[CH:46][CH:47]=[CH:48][CH:49]=2)[CH2:29][CH2:30]1)=[O:23]