HRID2410580

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID59495822

未命名化合物

HCID76644654

未命名化合物

PRODUCTS

生成物

结构：COCc1cc(-c2nc(-c3ccc(C(=O)O)c(F)c3)no2)ccc1-c1ccccc1C

HCID25256381

未命名化合物

结构：COCc1cc(-c2nc(-c3ccc(C(=O)OC)c(F)c3)no2)ccc1-c1ccccc1C

HCID66678608

未命名化合物

PROCEDURE

实验过程

Methyl 2-fluoro-4-{5-[2-(methoxymethyl)-2′-methylbiphenyl-4-yl]-1,2,4-oxadiazol-3-yl}benzoate was prepared following the general procedure 7 starting from Intermediate 3 and Intermediate 35. It was then hydrolysed following procedure 9, affording the title compound as as a beige solid. 1H NMR (DMSO, 300 MHz) δ 13.64 (br s, 1H), 8.33 (d, J=1.4 Hz, 1H), 8.17 (dd, J=7.9, 1.4 Hz, 1H), 8.13-8.03 (m, 2H), 7.96 (dd, J=11.1, 1.2 Hz, 1H), 7.43 (d, J=7.9 Hz, 1H), 7.37-7.27 (m, 3H), 7.15 (d, J=7.0 Hz, 1H), 4.25-4.14 (m, 2H), 3.25 (s, 3H), 2.04 (s, 3H). LC/MS (Method B): 419.1 (M+H)+; 417.2 (M−H)−. HPLC: Rt 5.19 min (Purity: 99.2%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d033a53dd74f4bc29c274d36f8b62305
来源数据集: uspto-grants-2014_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08815919B2
来源说明: uspto-grants-2014_08

反应 SMILES

[CH3:1][O:2][CH2:3][C:4]1[CH:9]=[C:8]([C:10]([OH:12])=O)[CH:7]=[CH:6][C:5]=1[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=1[CH3:19].[NH2:20][C:21](=[N:33][OH:34])[C:22]1[CH:31]=[CH:30][C:25]([C:26]([O:28][CH3:29])=[O:27])=[C:24]([F:32])[CH:23]=1>>[F:32][C:24]1[CH:23]=[C:22]([C:21]2[N:20]=[C:10]([C:8]3[CH:7]=[CH:6][C:5]([C:13]4[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=4[CH3:19])=[C:4]([CH2:3][O:2][CH3:1])[CH:9]=3)[O:12][N:33]=2)[CH:31]=[CH:30][C:25]=1[C:26]([O:28][CH3:29])=[O:27].[F:32][C:24]1[CH:23]=[C:22]([C:21]2[N:20]=[C:10]([C:8]3[CH:7]=[CH:6][C:5]([C:13]4[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=4[CH3:19])=[C:4]([CH2:3][O:2][CH3:1])[CH:9]=3)[O:34][N:33]=2)[CH:31]=[CH:30][C:25]=1[C:26]([OH:28])=[O:27]