HRID52836

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)[C@H](NC(=O)CBr)C(=O)NC(Cc1ccccc1)C(O)C(O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)CBr)C(C)C

HCID70057716

未命名化合物

HCID178527877

未命名化合物

PRODUCTS

生成物

结构：CC(C)[C@H](NC(=O)CSc1ncc[nH]1)C(=O)NC(Cc1ccccc1)C(O)C(O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)CSc1ncc[nH]1)C(C)C

HCID70130277

未命名化合物

收率 47.5%

PROCEDURE

实验过程

The resultant compound of Example 251 (150 mg, 0.2 mmol) was reacted with 2-mercaptoimidazole (40.6 mg) by the procedure described in Example 252 and similarly purified to afford the title compound (74 mg, 47%). 1H NMR (DMSO-d6, 300 MHz) δ 0.63 (m, 12H), 1.84 (m, 2H), 2.25-2.80 (m, 4H), 3.05-3.82 (m, 12H), 4.44 (m, 2H), 7.14 (m, 14H), 7.48 (bd, 2H), 8.07 (bd, 2H). MS (FAB) m/e 779 (M+H)+.

WORKUP

后处理

customsimilarly purified

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edd996bb594048adbf6145cfa7f2e7cb
来源数据集: uspto-grants-1997_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05616714
来源说明: uspto-grants-1997_04

反应 SMILES

Br[CH2:2][C:3]([NH:5][C@H:6]([C:10]([NH:12][CH:13]([CH:21]([OH:44])[CH:22]([OH:43])[CH:23]([NH:31][C:32](=[O:42])[C@H:33]([CH:39]([CH3:41])[CH3:40])[NH:34][C:35](=[O:38])[CH2:36]Br)[CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)[CH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)=[O:11])[CH:7]([CH3:9])[CH3:8])=[O:4].[SH:45][C:46]1[NH:47][CH:48]=[CH:49][N:50]=1>>[NH:47]1[CH:48]=[CH:49][N:50]=[C:46]1[S:45][CH2:2][C:3]([NH:5][C@H:6]([C:10]([NH:12][CH:13]([CH:21]([OH:44])[CH:22]([OH:43])[CH:23]([NH:31][C:32](=[O:42])[C@H:33]([CH:39]([CH3:41])[CH3:40])[NH:34][C:35]([CH2:36][S:45][C:46]1[NH:47][CH:48]=[CH:49][N:50]=1)=[O:38])[CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)[CH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)=[O:11])[CH:7]([CH3:9])[CH3:8])=[O:4]