HRID1627287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)c1cc(CSc2ncc(C(C)(C)c3ccc(Cl)c(Cl)c3)n2-c2ccc(F)c(OC)c2)ccc1C#CCO

HCID66740390

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

HCID66740842

未命名化合物

收率 85%

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID345198

Platinic oxide

O2Pt

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

To a Parr bottle charged with methyl 5-((5-(2-(3,4-dichlorophenyl)propan-2-yl)-1-(4-fluoro-3-methoxyphenyl)-1H-imidazol-2-ylthio)methyl)-2-(3-hydroxyprop-1-ynyl)benzoate (140 mg, 0.23 mmol) in degassed ethanol (10 mL) was added PtO2 (100 mg). The reaction vessel was pressurized to 60 psi with hydrogen gas and agitated at room temperature for 16 h. After LCMS analysis showed complete conversion, the reaction mixture was filtered through Celite™ and concentrated in vacuo to give the title compound (120 mg, 85%). MS (EI) m/z 619 (MH+).

WORKUP

后处理

filtrationthe reaction mixture was filtered through Celite™
concentrationconcentrated in vacuo

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0887c23482e44319a9929dad136d7753
来源数据集: uspto-grants-2014_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08785488B2
来源说明: uspto-grants-2014_07

反应 SMILES

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