HRID15571

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(Cc3nc4ccccc4s3)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

HCID67199672

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc2cc(N(Cc3nc4ccccc4s3)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)O

HCID11649539

未命名化合物

PROCEDURE

实验过程

{5-[Benzothiazol-2-ylmethyl-(4-fluoro-benzenesulfonyl)-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) δ8.08 (m, 1H), 7.86 (m, 1H), 7.79 (m, 2H), 7.45 (m, 4H), 7.25 (m, 2H), 6.91 (d, 1H), 5.33 (s, 2H), 4.39 (s, 2H), 2.65 (t, 2H), 1.72 (m, 2H), 0.92 (t, 3H). MS calculated for C26H23FN4O4S2+H: 539, observed: 539.

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-ee01e8fa35e148bf874c25c944de280c
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]([CH2:28][C:29]3[S:30][C:31]4[CH:37]=[CH:36][CH:35]=[CH:34][C:32]=4[N:33]=3)[S:18]([C:21]3[CH:26]=[CH:25][C:24]([F:27])=[CH:23][CH:22]=3)(=[O:20])=[O:19])=[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>>[S:30]1[C:31]2[CH:37]=[CH:36][CH:35]=[CH:34][C:32]=2[N:33]=[C:29]1[CH2:28][N:17]([S:18]([C:21]1[CH:26]=[CH:25][C:24]([F:27])=[CH:23][CH:22]=1)(=[O:19])=[O:20])[C:15]1[CH:14]=[CH:13][C:12]2[N:8]([CH2:7][C:6]([OH:41])=[O:5])[C:9]([CH2:38][CH2:39][CH3:40])=[N:10][C:11]=2[CH:16]=1