HRID44629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

HCID516892

Sodium Bicarbonate

CHNaO3

结构：CN1CCN(c2ccc(Nc3ncc4c(n3)-c3c(c(C(=O)NCc5ccccc5)nn3C)CC4)cc2)CC1

HCID57444152

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(C(=O)NCc2ccccc2)c2c1-c1nc(Nc3ccc(N4CC[N+](C)([O-])CC4)cc3)ncc1CC2

HCID57531662

未命名化合物

收率 66%

PROCEDURE

实验过程

To a solution of 39.4 mg (0.0774 mmol) of N-benzyl-1-methyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide, 17.4 mg (0.0774 mg) of 3-chlorobenzenecarboperoxoic acid were added and the mixture was stirred at room temperature. After 45 minutes an aqueous solution of NaHCO3 was added and the solvent removed. Treatment with methanol and filtration afforded 26.6 mg of the title compound (66% yield).

WORKUP

后处理

customthe solvent removed
filtrationTreatment with methanol and filtration

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0e8df0579dc42f9bd6d5faf92f485c4
来源数据集: uspto-grants-2013_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08541429B2
来源说明: uspto-grants-2013_09

反应 SMILES

[CH2:1]([NH:8][C:9]([C:11]1[C:15]2[CH2:16][CH2:17][C:18]3[CH:19]=[N:20][C:21]([NH:24][C:25]4[CH:30]=[CH:29][C:28]([N:31]5[CH2:36][CH2:35][N:34]([CH3:37])[CH2:33][CH2:32]5)=[CH:27][CH:26]=4)=[N:22][C:23]=3[C:14]=2[N:13]([CH3:38])[N:12]=1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.ClC1C=C(C(OO)=[O:47])C=CC=1.C([O-])(O)=O.[Na+]>>[CH2:1]([NH:8][C:9]([C:11]1[C:15]2[CH2:16][CH2:17][C:18]3[CH:19]=[N:20][C:21]([NH:24][C:25]4[CH:26]=[CH:27][C:28]([N:31]5[CH2:32][CH2:33][N+:34]([CH3:37])([O-:47])[CH2:35][CH2:36]5)=[CH:29][CH:30]=4)=[N:22][C:23]=3[C:14]=2[N:13]([CH3:38])[N:12]=1)=[O:10])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1