HRID723219

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3939

Lithium hydroxide anhydrous

HLiO

结构：CCOC(=O)CCCCCNC(=O)Nc1cc(C)c(-c2cccc(S(=O)(=O)c3cc(C(=N)NC(=O)OC(C)(C)C)sc3SC)c2)c(NC(=O)CCCC(=O)OC)c1

HCID145857701

未命名化合物

PRODUCTS

生成物

结构：CSc1sc(C(=N)NC(=O)OC(C)(C)C)cc1S(=O)(=O)c1cccc(-c2c(C)cc(NC(=O)NCCCCCC(=O)O)cc2NC(=O)CCCC(=O)O)c1

HCID145857634

未命名化合物

收率 115.6%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID22242641

Methanol--water (1/1)

CH6O2

PROCEDURE

实验过程

Lithium hydroxide (53.8 μL, 0.215 mmol, 4N aqueous) was added to a solution of 6-{3-[3′-[5-(tert-butoxycarbonylamino-imino-methyl)-2-methylsulfanyl-thiophene-3-sulfonyl]-2-(4-methoxycarbonyl-butyrylamino)-6-methyl-biphenyl-4-yl]-ureido}-hexanoic acid ethyl ester (45.5 mg, 53.8 μmol, Example 278: step d) in MeOH/H2O (10 mL, 2:1) at 0° C. The reaction mixture was warmed to rt and stirred overnight. The solvents were removed in vacuo to afford the title compound as a yellow solid (50 mg, quantitative). ESI-MS (m/z): Calcd. for C36H45N5O10S3: 804.2 (M+1); found: 803.9.

WORKUP

后处理

customThe solvents were removed in vacuo

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63be69cf4f3f42ac920a777a0115e06f
来源数据集: uspto-grants-2006_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07138530B2
来源说明: uspto-grants-2006_11

反应 SMILES

[OH-].[Li+].C([O:5][C:6](=[O:59])[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][NH:12][C:13]([NH:15][C:16]1[CH:21]=[C:20]([CH3:22])[C:19]([C:23]2[CH:28]=[CH:27][CH:26]=[C:25]([S:29]([C:32]3[CH:36]=[C:35]([C:37]([NH:39][C:40]([O:42][C:43]([CH3:46])([CH3:45])[CH3:44])=[O:41])=[NH:38])[S:34][C:33]=3[S:47][CH3:48])(=[O:31])=[O:30])[CH:24]=2)=[C:18]([NH:49][C:50](=[O:58])[CH2:51][CH2:52][CH2:53][C:54]([O:56]C)=[O:55])[CH:17]=1)=[O:14])C>CO.O>[C:43]([O:42][C:40]([NH:39][C:37](=[NH:38])[C:35]1[S:34][C:33]([S:47][CH3:48])=[C:32]([S:29]([C:25]2[CH:24]=[C:23]([C:19]3[C:20]([CH3:22])=[CH:21][C:16]([NH:15][C:13](=[O:14])[NH:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][C:6]([OH:59])=[O:5])=[CH:17][C:18]=3[NH:49][C:50](=[O:58])[CH2:51][CH2:52][CH2:53][C:54]([OH:56])=[O:55])[CH:28]=[CH:27][CH:26]=2)(=[O:30])=[O:31])[CH:36]=1)=[O:41])([CH3:46])([CH3:44])[CH3:45]