HRID854654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：Cc1ccc(-c2nc(CO[C@@H]3CCC[C@H](CN[C@H](C(=O)OC(C)(C)C)C(C)C)C3)c(C)o2)cc1

HCID86597944

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2nc(CO[C@@H]3CCC[C@H](CN[C@H](C(=O)O)C(C)C)C3)c(C)o2)cc1.O=C(O)C(F)(F)F

HCID69243866

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID284

Formic acid

CH2O2

PROCEDURE

实验过程

40 mg of tert-butyl (S)-3-methyl-2-{[cis-3-(5-methyl-2-p-tolyloxazol-4-ylmethoxy)cyclohexylmethyl]amino}butyrate are dissolved in 1 ml of formic acid, and 0.5 ml of trifluoroacetic acid is added. The solution is stirred at room temperature for 18 and then concentrated completely. The residue is purified by HPLC, which gives 28.2 mg of (S)-3-methyl-2-{[cis-3-(5-methyl-2-p-tolyloxazol-4-ylmethoxy)cyclohexylmethyl]amino}butyric acid trifluoroacetic acid salt as a colorless solid. C24H34N2O2.C2HF3O2 (414.55); MS (ES−): 413.28 (M+−H).

WORKUP

后处理

concentrationconcentrated completely
customThe residue is purified by HPLC, which

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45f5afa20a6740a38838ca062c96af86
来源数据集: uspto-grants-2007_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07259177B2
来源说明: uspto-grants-2007_08

反应 SMILES

[CH3:1][CH:2]([CH3:34])[C@H:3]([NH:11][CH2:12][C@H:13]1[CH2:18][CH2:17][CH2:16][C@@H:15]([O:19][CH2:20][C:21]2[N:22]=[C:23]([C:27]3[CH:32]=[CH:31][C:30]([CH3:33])=[CH:29][CH:28]=3)[O:24][C:25]=2[CH3:26])[CH2:14]1)[C:4]([O:6]C(C)(C)C)=[O:5].[F:35][C:36]([F:41])([F:40])[C:37]([OH:39])=[O:38]>C(O)=O>[F:35][C:36]([F:41])([F:40])[C:37]([OH:39])=[O:38].[CH3:1][CH:2]([CH3:34])[C@H:3]([NH:11][CH2:12][C@H:13]1[CH2:18][CH2:17][CH2:16][C@@H:15]([O:19][CH2:20][C:21]2[N:22]=[C:23]([C:27]3[CH:28]=[CH:29][C:30]([CH3:33])=[CH:31][CH:32]=3)[O:24][C:25]=2[CH3:26])[CH2:14]1)[C:4]([OH:6])=[O:5]