HRID1072482

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID517045

Sodium Acetate

C2H3NaO2

结构：CCOC(=O)NC(=O)C(=NNc1cc(Cl)c(C(C)(C)c2noc(-c3ccccc3C)n2)c(Cl)c1)C(=O)NC(=O)OCC

HCID22386569

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)NC(=O)c1nn(-c2cc(Cl)c(C(C)(C)c3noc(-c4ccccc4C)n3)c(Cl)c2)c(=O)[nH]c1=O

HCID86588468

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID176

Acetic Acid

C2H4O2

PROCEDURE

实验过程

A solution of intermediate (20) (0.0302 mole) and sodium acetate (0.0302 mole) in acetic acid (200 ml) was stirred and refluxed for 3 hours. The reaction mixture was poured out into water and this mixture was extracted with CH2Cl2. The separated organic layer was dried, filtered and the solvent evaporated. Toluene was added and azeotroped on the rotary evaporator, yielding ethyl [[2-[3,5-dichloro-4-[1-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methylethyl]phenyl]-2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl]carbonyl]carbamate (intermediate 21).

WORKUP

后处理

temperaturerefluxed for 3 hours
extractionthis mixture was extracted with CH2Cl2
customThe separated organic layer was dried
filtrationfiltered
customthe solvent evaporated
additionToluene was added
customazeotroped on the rotary evaporator

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f3814f355334a70b36dd3af29fc90ab
来源数据集: uspto-grants-2005_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06911444B2
来源说明: uspto-grants-2005_06

反应 SMILES

[Cl:1][C:2]1[CH:3]=[C:4]([NH:24][N:25]=[C:26]([C:35]([NH:37][C:38](=[O:42])OCC)=[O:36])[C:27]([NH:29][C:30](=[O:34])[O:31][CH2:32][CH3:33])=[O:28])[CH:5]=[C:6]([Cl:23])[C:7]=1[C:8]([C:11]1[N:15]=[C:14]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=2[CH3:22])[O:13][N:12]=1)([CH3:10])[CH3:9].C([O-])(=O)C.[Na+].O>C(O)(=O)C>[Cl:23][C:6]1[CH:5]=[C:4]([N:24]2[C:38](=[O:42])[NH:37][C:35](=[O:36])[C:26]([C:27]([NH:29][C:30](=[O:34])[O:31][CH2:32][CH3:33])=[O:28])=[N:25]2)[CH:3]=[C:2]([Cl:1])[C:7]=1[C:8]([C:11]1[N:15]=[C:14]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=2[CH3:22])[O:13][N:12]=1)([CH3:9])[CH3:10]