HRID1751506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc(C6CCCN6C(=O)C(NC(=O)CC6CCOCC6)c6ccccc6)[nH]5)cc4)ccc3c2)[nH]1)C(C)C

HCID69675095

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc(C6CCCN6C(=O)C(NC(=O)CN(C)C)c6ccccc6)[nH]5)cc4)ccc3c2)[nH]1)C(C)C

HCID69672462

未命名化合物

收率 99%

PROCEDURE

实验过程

This compound was prepared using the procedure used to prepare {2-Methyl-1-[2-(5-{6-[4-(2-{1-[2-phenyl-2-(2-tetrahydro-pyran-4-yl-acetylamino)-acetyl]-pyrrolidin-2-yl}-3H-imidazol-4-yl)-phenyl]-naphthalen-2-yl}-1H-imidazol-2-yl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid methyl ester using Dimethylamino-acetic acid (0.018 g, 0.172 mmol) to provide {1-[2-(5-{6-[4-(2-{1-[2-(2-Dimethylamino-acetylamino)-2-phenyl-acetyl]-pyrrolidin-2-yl}-3H-imidazol-4-yl)-phenyl]-naphthalen-2-yl}-1H-imidazol-2-yl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid methyl ester (0.106 g, >99%) as a white solid. LCMS-ESI+: calc'd for C49H55N9O5: 849.43 (M+); Found: 850.60 (M+H+).

WORKUP

后处理

customThis compound was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0830a7c590b34a2e9411e4eb3525ea55
来源数据集: uspto-grants-2015_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09156823B2
来源说明: uspto-grants-2015_10

反应 SMILES

[CH3:1][O:2][C:3](=[O:66])[NH:4][CH:5]([C:9]([N:11]1[CH2:15][CH2:14][CH2:13][CH:12]1[C:16]1[NH:17][C:18]([C:21]2[CH:30]=[CH:29][C:28]3[C:23](=[CH:24][CH:25]=[C:26]([C:31]4[CH:36]=[CH:35][C:34]([C:37]5[NH:38][C:39]([CH:42]6[CH2:46][CH2:45][CH2:44][N:43]6[C:47](=[O:65])[CH:48]([C:59]6[CH:64]=[CH:63][CH:62]=[CH:61][CH:60]=6)[NH:49]C(=O)CC6CCOCC6)=[N:40][CH:41]=5)=[CH:33][CH:32]=4)[CH:27]=3)[CH:22]=2)=[CH:19][N:20]=1)=[O:10])[CH:6]([CH3:8])[CH3:7].[CH3:67][N:68]([CH2:70][C:71]([OH:73])=O)[CH3:69]>>[CH3:1][O:2][C:3](=[O:66])[NH:4][CH:5]([C:9]([N:11]1[CH2:15][CH2:14][CH2:13][CH:12]1[C:16]1[NH:17][C:18]([C:21]2[CH:30]=[CH:29][C:28]3[C:23](=[CH:24][CH:25]=[C:26]([C:31]4[CH:32]=[CH:33][C:34]([C:37]5[NH:38][C:39]([CH:42]6[CH2:46][CH2:45][CH2:44][N:43]6[C:47](=[O:65])[CH:48]([NH:49][C:71](=[O:73])[CH2:70][N:68]([CH3:69])[CH3:67])[C:59]6[CH:64]=[CH:63][CH:62]=[CH:61][CH:60]=6)=[N:40][CH:41]=5)=[CH:35][CH:36]=4)[CH:27]=3)[CH:22]=2)=[CH:19][N:20]=1)=[O:10])[CH:6]([CH3:8])[CH3:7]