HRID727207

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID203812

O-{[3-(Trifluoromethyl)phenyl]methyl}hydroxylamine--hydrogen chloride (1/1)

C8H9ClF3NO

反应SMILES：CC(C)(C)C(=O)Nc1nc2c(c(NC(=O)C(C)(C)C)n1)CC(=O)CC2

HCID19705190

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)C(=O)Nc1nc2c(c(NC(=O)C(C)(C)C)n1)CC(=NOCc1cccc(C(F)(F)F)c1)CC2

HCID54231774

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

This compound is prepared in a manner analogous to that of Step E of Example 12, using 3.5 grams (0.010 mole) of 2,4-di[(1,1-dimethylethyl)carbonylamino]-5,6,7,8-tetrahydro-6-quinazolinone (prepared in Step C of Example 12) and 2.7 grams (0.012 mole) of O-(3-trifluoromethylphenylmethyl)hydroxylamine hydrochloride in about 45 mL of ethanol. This preparation differs from Step E of Example 12 in that prior to heating at reflux for four hours, 1.5 grams (0.01 5 mole) of triethylamine is added as an acid acceptor, yielding 2,4-di[(1,1-dimethylethyl)carbonylamino]-6-(3-trifluoromethylphenylmethoxyimino)-5,6,7,8-tetrahydroquinazoline.

WORKUP

后处理

customThis compound is prepared in a manner analogous to that of Step E of Example 12
temperatureto heating
temperatureat reflux for four hours

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5e1588458d0148cd900c8b305f1b3c0c
来源数据集: uspto-grants-1998_01
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US05712281
来源说明: uspto-grants-1998_01

反应SMILES

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