HRID1740081

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID14798

Sodium Hydroxide

HNaO

反应SMILES：CCOC(=O)COC1CCN(C(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(C)n(-c3ccc(C(=N)N)cc3)c2=O)CC1

HCID15435503

未命名化合物

PRODUCTS

产物

反应SMILES：Cl.Cn1c(-c2ccc(C(C)(C)C)cc2)c(C(=O)N2CCC(OCC(=O)O)CC2)c(=O)n1-c1ccc(C(=N)N)cc1

HCID21837652

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

A mixture of 100 mg of 1-(4-amidinophenyl)-3-(4-t-butylphenyl)-4-{[4-(ethoxycarbonylmethyloxy)-1-piperidinyl]carbonyl}-2-methyl-2H-pyrazol-5-one, 0.36 ml of 1N aqueous sodium hydroxide and 0.72 ml of ethanol was stirred at room temperature for 1 hour, and the reaction solution was adjusted to pH 3 with dilute hydrochloric acid. The solvent was removed by evaporation under reduced pressure. The resulting residue was recrystallized in water to give 70.7 mg of the title compound as colorless crystals.

WORKUP

后处理

customThe solvent was removed by evaporation under reduced pressure
customThe resulting residue was recrystallized in water

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7ab0c7a0c1404b23b48739bef5313184
来源数据集: uspto-grants-1999_10
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US05968967
来源说明: uspto-grants-1999_10

反应SMILES

[C:1]([C:4]1[CH:9]=[CH:8][C:7]([N:10]2[C:14](=[O:15])[C:13]([C:16]([N:18]3[CH2:23][CH2:22][CH:21]([O:24][CH2:25][C:26]([O:28]CC)=[O:27])[CH2:20][CH2:19]3)=[O:17])=[C:12]([C:31]3[CH:36]=[CH:35][C:34]([C:37]([CH3:40])([CH3:39])[CH3:38])=[CH:33][CH:32]=3)[N:11]2[CH3:41])=[CH:6][CH:5]=1)(=[NH:3])[NH2:2].[OH-].[Na+].[ClH:44]>C(O)C>[ClH:44].[C:1]([C:4]1[CH:5]=[CH:6][C:7]([N:10]2[C:14](=[O:15])[C:13]([C:16]([N:18]3[CH2:19][CH2:20][CH:21]([O:24][CH2:25][C:26]([OH:28])=[O:27])[CH2:22][CH2:23]3)=[O:17])=[C:12]([C:31]3[CH:36]=[CH:35][C:34]([C:37]([CH3:39])([CH3:38])[CH3:40])=[CH:33][CH:32]=3)[N:11]2[CH3:41])=[CH:8][CH:9]=1)(=[NH:2])[NH2:3]