HRID2410604

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID58066268

未命名化合物

结构：CN(CC(=O)OC(C)(C)C)Cc1ccc(C(N)=NO)cc1

HCID76685327

未命名化合物

PRODUCTS

生成物

结构：COCc1cc(-c2nc(-c3ccc(CN(C)CC(=O)OC(C)(C)C)cc3)no2)ccc1-c1cccc(F)c1Cl

HCID66678381

未命名化合物

结构：COCc1cc(-c2nc(-c3ccc(CN(C)CC(=O)O)cc3)no2)ccc1-c1cccc(F)c1Cl.Cl

HCID131731806

未命名化合物

收率 80%

PROCEDURE

实验过程

Tert-butyl N-(4-{5-[2′-chloro-3′-fluoro-2-(methoxymethyl)biphenyl-4-yl]-1,2,4-oxadiazol-3-yl}benzyl)-N-methylglycinate was prepared following the general procedure 3 starting from Intermediate 62 and Intermediate 31. It was hydrolyzed following general procedure 8 to afford the title compound as a white powder (326 mg, 80%). 1H NMR (DMSO-d6, 300 MHz) δ 8.35 (brs, 1H), 8.22 (m, 3H), 7.81 (d, J=8.4 Hz, 2H), 7.59-7.48 (m, 3H), 7.26 (m, 1H), 4.48 (brs, 2H), 4.28 (m, 2H), 4.11 (brs, 2H), 3.25 (s, 3H), 2.81 (s, 3H). LC/MS (Method B): 496.1 (M+H)+, 494.2 (M−H)−. HPLC (Method A) Rt 3.96 min (Purity: 100%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a68c7c126764ee79249a2632498b14b
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

[Cl:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[CH:4][C:3]=1[C:9]1[CH:14]=[CH:13][C:12]([C:15]([OH:17])=O)=[CH:11][C:10]=1[CH2:18][O:19][CH3:20].[NH2:21][C:22](=[N:40][OH:41])[C:23]1[CH:39]=[CH:38][C:26]([CH2:27][N:28]([CH3:37])[CH2:29][C:30]([O:32][C:33]([CH3:36])([CH3:35])[CH3:34])=[O:31])=[CH:25][CH:24]=1>>[Cl:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[CH:4][C:3]=1[C:9]1[CH:14]=[CH:13][C:12]([C:15]2[O:17][N:40]=[C:22]([C:23]3[CH:39]=[CH:38][C:26]([CH2:27][N:28]([CH3:37])[CH2:29][C:30]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:31])=[CH:25][CH:24]=3)[N:21]=2)=[CH:11][C:10]=1[CH2:18][O:19][CH3:20].[ClH:1].[Cl:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[CH:4][C:3]=1[C:9]1[CH:14]=[CH:13][C:12]([C:15]2[O:41][N:40]=[C:22]([C:23]3[CH:24]=[CH:25][C:26]([CH2:27][N:28]([CH3:37])[CH2:29][C:30]([OH:32])=[O:31])=[CH:38][CH:39]=3)[N:21]=2)=[CH:11][C:10]=1[CH2:18][O:19][CH3:20]