HRID593966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID516892

Sodium Bicarbonate

CHNaO3

HCID23707502

未命名化合物

结构：CSc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccccc4)c4ccccc34)cc2)n1.Cl

HCID66731379

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccccc4)c4ccccc34)cc2)n1

HCID66731697

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID887

Methanol

CH4O

PROCEDURE

实验过程

A 100 ml dried round bottom flask was charged with N-(4-(3-(2-(methylthio)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-4-phenylphthalazin-1-amine hydrochloride (1.25 g, 2.27 mmol) and sonicated in methanol (20.6 ml, 0.11 M) for 20 minutes. To this was added oxone (4.18 g, 6.81 mmol) and the mixture was stirred at RT for 2 days. The mixture was cooled to 0° C. and basified with aq. NaHCO3. The solids were filtered, washed with water, and dried under high vacuum to provide N-(4-(3-(2-(methylsulfonyl)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-4-phenylphthalazin-1-amine as a light yellow solid. MS m/z=547 [M+H]+. Calc'd for C30H22N6O3S: 546.60.

WORKUP

后处理

customA 100 ml dried round bottom flask
filtrationThe solids were filtered
washwashed with water
customdried under high vacuum

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82025e7358924567a6c011fa48e2bd90
来源数据集: uspto-grants-2016_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09242961B2
来源说明: uspto-grants-2016_01

反应 SMILES

Cl.CS[C:4]1[N:9]=[C:8]([C:10]2[C:11]([O:16][C:17]3[CH:22]=[CH:21][C:20]([NH:23][C:24]4[C:33]5[C:28](=[CH:29][CH:30]=[CH:31][CH:32]=5)[C:27]([C:34]5[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=5)=[N:26][N:25]=4)=[CH:19][CH:18]=3)=[N:12][CH:13]=[CH:14][CH:15]=2)[CH:7]=[CH:6][N:5]=1.O[O:41][S:42]([O-:44])=O.[K+].[C:46]([O-])(O)=O.[Na+]>CO>[CH3:46][S:42]([C:4]1[N:9]=[C:8]([C:10]2[C:11]([O:16][C:17]3[CH:18]=[CH:19][C:20]([NH:23][C:24]4[C:33]5[C:28](=[CH:29][CH:30]=[CH:31][CH:32]=5)[C:27]([C:34]5[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=5)=[N:26][N:25]=4)=[CH:21][CH:22]=3)=[N:12][CH:13]=[CH:14][CH:15]=2)[CH:7]=[CH:6][N:5]=1)(=[O:44])=[O:41]