HRID15563

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CCCc1nc2cc(N(Cc3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

HCID67200869

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc2cc(N(Cc3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)O

HCID59342506

未命名化合物

PROCEDURE

实验过程

{5-[(4-Fluoro-benzenesulfonyl)-(3-trifluoromethyl-benzyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid tert-butyl ester was treated with TFA (2 mL) for 2 hours, concentrated, and purified by preparative LCMS to give the title compound. MS calculated for C26H23F4N3O4S—H: 548, observed: 548.

WORKUP

后处理

concentrationconcentrated
custompurified by preparative LCMS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eae55112e51a484c88c600d0a322f121
来源数据集: uspto-grants-2010_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07732618B2
来源说明: uspto-grants-2010_06

反应 SMILES

C([O:5][C:6](=[O:42])[CH2:7][N:8]1[C:12]2[CH:13]=[CH:14][C:15]([N:17]([S:29]([C:32]3[CH:37]=[CH:36][C:35]([F:38])=[CH:34][CH:33]=3)(=[O:31])=[O:30])[CH2:18][C:19]3[CH:24]=[CH:23][CH:22]=[C:21]([C:25]([F:28])([F:27])[F:26])[CH:20]=3)=[CH:16][C:11]=2[N:10]=[C:9]1[CH2:39][CH2:40][CH3:41])(C)(C)C.C(O)(C(F)(F)F)=O>>[F:38][C:35]1[CH:36]=[CH:37][C:32]([S:29]([N:17]([CH2:18][C:19]2[CH:24]=[CH:23][CH:22]=[C:21]([C:25]([F:26])([F:27])[F:28])[CH:20]=2)[C:15]2[CH:14]=[CH:13][C:12]3[N:8]([CH2:7][C:6]([OH:42])=[O:5])[C:9]([CH2:39][CH2:40][CH3:41])=[N:10][C:11]=3[CH:16]=2)(=[O:31])=[O:30])=[CH:33][CH:34]=1