HRID975129

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID64354

Adamantanine

C11H17NO2

结构：COc1cccc(OC)c1-c1cc(C(=O)Cl)nn1-c1cccc2cnccc12

HCID18926658

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1cccc2cnccc12

HCID18926655

2-{[1-(5-Isoquinolyl)-5-(2,6-dimethoxyphenyl)-3-pyrazolyl]carbonylamino}-2-adamantanecarboxylic acid

C32H32N4O5

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID1049

Pyridine

C5H5N

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

0.75 g of 2-amino-2-adamantanecarboxylic acid is dissolved in 20 ml of pyridine. 1.4 g of 1-(5-isoquinolyl)-5-(2,6-dimethoxyphenyl)-3-pyrazolecarbonyl chloride, dissolved in 20 ml of dichloromethane, are added and the reaction mixture is left overnight at room temperature. It is concentrated under vacuum, the residue is taken up with pH 2 buffer, the mixture is stirred and the precipitate is filtered off and rinsed with diisopropyl ether.

WORKUP

后处理

additionare added
concentrationIt is concentrated under vacuum
filtrationthe precipitate is filtered off
washrinsed with diisopropyl ether

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0f85f2830a34baa9f603524b64045e2
来源数据集: uspto-grants-1997_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05607958
来源说明: uspto-grants-1997_03

反应 SMILES

[NH2:1][C:2]1([C:12]([OH:14])=[O:13])[CH:9]2[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:11][CH:3]1[CH2:4]3)[CH2:8]2.[CH:15]1[C:24]2[C:19](=[C:20]([N:25]3[C:29]([C:30]4[C:35]([O:36][CH3:37])=[CH:34][CH:33]=[CH:32][C:31]=4[O:38][CH3:39])=[CH:28][C:27]([C:40](Cl)=[O:41])=[N:26]3)[CH:21]=[CH:22][CH:23]=2)[CH:18]=[CH:17][N:16]=1>N1C=CC=CC=1.ClCCl>[CH:15]1[C:24]2[C:19](=[C:20]([N:25]3[C:29]([C:30]4[C:31]([O:38][CH3:39])=[CH:32][CH:33]=[CH:34][C:35]=4[O:36][CH3:37])=[CH:28][C:27]([C:40]([NH:1][C:2]4([C:12]([OH:14])=[O:13])[CH:9]5[CH2:8][CH:7]6[CH2:6][CH:5]([CH2:4][CH:3]4[CH2:11]6)[CH2:10]5)=[O:41])=[N:26]3)[CH:21]=[CH:22][CH:23]=2)[CH:18]=[CH:17][N:16]=1