HRID15559

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(CCCOc3ccccc3)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

HCID67199831

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc2cc(N(CCCOc3ccccc3)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)O

HCID11569987

未命名化合物

PROCEDURE

实验过程

{5-[(4-Fluoro-benzenesulfonyl)-(3-phenoxy-propyl)-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. 1H NMR (d6-DMSO) δ7.62 (m, 2H), 7.30 (m, 6H), 6.88 (m, 4H), 4.62 (s, 2H), 3.99 (t, 2H), 3.74 (t, 2H), 2.71 (m, 2H), 1.71 (m, 4H), 0.99 (t, 3H). MS calculated for C27H26FN3O5S—H: 524, observed: 524.

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-41592d506b9640f2a64eb954631d6d05
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:41])[CH2:7][N:8]1[C:12]2[CH:13]=[CH:14][C:15]([N:17]([S:28]([C:31]3[CH:36]=[CH:35][C:34]([F:37])=[CH:33][CH:32]=3)(=[O:30])=[O:29])[CH2:18][CH2:19][CH2:20][O:21][C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=3)=[CH:16][C:11]=2[N:10]=[C:9]1[CH2:38][CH2:39][CH3:40])(C)(C)C.C(O)(C(F)(F)F)=O>>[F:37][C:34]1[CH:35]=[CH:36][C:31]([S:28]([N:17]([CH2:18][CH2:19][CH2:20][O:21][C:22]2[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=2)[C:15]2[CH:14]=[CH:13][C:12]3[N:8]([CH2:7][C:6]([OH:41])=[O:5])[C:9]([CH2:38][CH2:39][CH3:40])=[N:10][C:11]=3[CH:16]=2)(=[O:30])=[O:29])=[CH:32][CH:33]=1