HRID29439

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21863450

未命名化合物

结构：Cc1cccc2oc(C(=O)Nc3ccc(-c4ccc(S(=O)(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C)cc4)cc3)nc12

HCID68712161

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc2oc(C(=O)Nc3ccc(-c4ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc4)cc3)nc12

HCID11329631

未命名化合物

收率 115.2%

PROCEDURE

实验过程

To (S)-3-methyl-2-{4′-[(4-methyl-benzooxazole-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-butyric acid tert-butyl ester (135 mg) was added 4 mL of TFA/CH2Cl2 (1:1). The solution was stirred at room temperature for 3 h. The solvents were removed under vacuum and the residue was triturated with ether. Filtration gave 140 mg of (S)-3-methyl-2-{4′-[(4-methyl-benzooxazole-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-butyric acid as white solid. 1H NMR (400 MHz, DMSO-d6) δ ppm 0.8 (dd, J=12.4, 6.8 Hz, 6 H) 2.0 (m, 1 H) 2.7 (s, 3 H) 3.6 (dd, J=9.3, 6.1 Hz, 1 H) 7.4 (d, J=8.3 Hz, 1 H) 7.5 (m, 1 H) 7.7 (d, J=8.3 Hz, 1 H) 7.8 (m, 6 H) 8.1 (t, J=8.8 Hz, 3 H) 11.3 (s, 1 H).

WORKUP

后处理

customThe solvents were removed under vacuum
customthe residue was triturated with ether
filtrationFiltration

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d219ab33d4f64ca6a29dd7b1fbf62d28
来源数据集: uspto-grants-2008_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07420001B2
来源说明: uspto-grants-2008_09

反应 SMILES

C([O:5][C:6](=[O:40])[C@@H:7]([NH:11][S:12]([C:15]1[CH:20]=[CH:19][C:18]([C:21]2[CH:26]=[CH:25][C:24]([NH:27][C:28]([C:30]3[O:31][C:32]4[CH:38]=[CH:37][CH:36]=[C:35]([CH3:39])[C:33]=4[N:34]=3)=[O:29])=[CH:23][CH:22]=2)=[CH:17][CH:16]=1)(=[O:14])=[O:13])[CH:8]([CH3:10])[CH3:9])(C)(C)C.C(O)(C(F)(F)F)=O.C(Cl)Cl>>[CH3:9][CH:8]([CH3:10])[C@H:7]([NH:11][S:12]([C:15]1[CH:16]=[CH:17][C:18]([C:21]2[CH:22]=[CH:23][C:24]([NH:27][C:28]([C:30]3[O:31][C:32]4[CH:38]=[CH:37][CH:36]=[C:35]([CH3:39])[C:33]=4[N:34]=3)=[O:29])=[CH:25][CH:26]=2)=[CH:19][CH:20]=1)(=[O:14])=[O:13])[C:6]([OH:40])=[O:5]