HRID1480954

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O

HCID89812860

未命名化合物

HCID89812951

未命名化合物

PRODUCTS

生成物

结构：CCCC(CCC)(CNC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O)C(=O)OC(C)(C)C

HCID89812976

未命名化合物

收率 82.5%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID887

Methanol

CH4O

PROCEDURE

实验过程

A mixture of 1-cyano-4-hydroxy-7-phenoxy-isoquinoline-3-carboxylic acid methyl ester (135 mg) and 2-aminomethyl-2-propyl-pentanoic acid tert-butyl ester (193 mg) in MeOH (2 mL) was microwaved at 120° C. for 2 h. The mixture was cooled, concentrated with HOAc (0.02 mL), the residue was directly column purified to give the desired product (180 mg). LC MS ESI+: 518 (M+1)+.

WORKUP

后处理

customwas microwaved at 120° C. for 2 h
temperatureThe mixture was cooled
concentrationconcentrated with HOAc (0.02 mL)
custompurified

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae5750e135864fc9ab22287687b43f03
来源数据集: uspto-grants-2016_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09409892B2
来源说明: uspto-grants-2016_08

反应 SMILES

CO[C:3]([C:5]1[N:6]=[C:7]([C:23]#[N:24])[C:8]2[C:13]([C:14]=1[OH:15])=[CH:12][CH:11]=[C:10]([O:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)[CH:9]=2)=[O:4].[C:25]([O:29][C:30](=[O:40])[C:31]([CH2:38][NH2:39])([CH2:35][CH2:36][CH3:37])[CH2:32][CH2:33][CH3:34])([CH3:28])([CH3:27])[CH3:26]>CO>[C:25]([O:29][C:30](=[O:40])[C:31]([CH2:38][NH:39][C:3]([C:5]1[N:6]=[C:7]([C:23]#[N:24])[C:8]2[C:13]([C:14]=1[OH:15])=[CH:12][CH:11]=[C:10]([O:16][C:17]1[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=1)[CH:9]=2)=[O:4])([CH2:35][CH2:36][CH3:37])[CH2:32][CH2:33][CH3:34])([CH3:26])([CH3:28])[CH3:27]