HRID81957

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

结构：CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)OC(C)(C)C)cc3OC)nc1-2

HCID44556274

未命名化合物

PRODUCTS

生成物

结构：CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)O)cc3OC)nc1-2

HCID44556275

未命名化合物

收率 99.7%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

溶剂HCID6422

未命名化合物

PROCEDURE

实验过程

To a solution of tert-butyl 4-({3-[(2,6-diethylphenyl)carbamoyl]-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazolin-8-yl}amino)-3-methoxybenzoate (500 mg, 0.857 mmol) in dimethylformamide (8 mL), trifluoro acetic acid (0.600 mL), were added. The mixture was stirred at room temperature overnight. Water was added and the mixture extracted with ethylacetate. The organic solvent evaporated to dryness. To give 450 mg of the title compound in quantitative yield.

WORKUP

后处理

extractionthe mixture extracted with ethylacetate
customThe organic solvent evaporated to dryness

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f80374362ca74d7685d956d32bad6840
来源数据集: uspto-grants-2014_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08846701B2
来源说明: uspto-grants-2014_09

反应 SMILES

[CH2:1]([C:3]1[CH:8]=[CH:7][CH:6]=[C:5]([CH2:9][CH3:10])[C:4]=1[NH:11][C:12]([C:14]1[C:18]2[CH2:19][CH2:20][C:21]3[CH:22]=[N:23][C:24]([NH:27][C:28]4[CH:40]=[CH:39][C:31]([C:32]([O:34]C(C)(C)C)=[O:33])=[CH:30][C:29]=4[O:41][CH3:42])=[N:25][C:26]=3[C:17]=2[N:16]([CH3:43])[N:15]=1)=[O:13])[CH3:2].O>CN(C)C=O.FC(F)(F)C(O)=O>[CH2:9]([C:5]1[CH:6]=[CH:7][CH:8]=[C:3]([CH2:1][CH3:2])[C:4]=1[NH:11][C:12]([C:14]1[C:18]2[CH2:19][CH2:20][C:21]3[CH:22]=[N:23][C:24]([NH:27][C:28]4[CH:40]=[CH:39][C:31]([C:32]([OH:34])=[O:33])=[CH:30][C:29]=4[O:41][CH3:42])=[N:25][C:26]=3[C:17]=2[N:16]([CH3:43])[N:15]=1)=[O:13])[CH3:10]