HRID473303

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6395

Methanesulfonic acid

CH4O3S

反应SMILES：Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12

HCID46207586

Ilorasertib

C25H21FN6O2S

PRODUCTS

产物

反应SMILES：CS(=O)(=O)O.Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12

HCID54759637

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8857

Ethyl Acetate

C4H8O2

CONDITIONS

反应条件

温度: 40 °C

PROCEDURE

实验过程

N-(4-{4-amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-N′-(3-fluorophenyl)urea free base solid (26 mg) was suspended in ethyl acetate (100 μL) at 40° C. with magnetic stirring. Methanesulfonic acid (6.6 μL, 4 M) was slowly added to A-968660 free base suspension at 40° C. with magnetic stirring. Amorphous material precipitated upon addition of the acid solution. Additional ethyl acetate (250 μL) was added and the suspension was stirred at 40° C. for 30 minutes. Solid was collected by centrifuge filtration.

WORKUP

后处理

customAmorphous material precipitated upon addition of the acid solution
additionAdditional ethyl acetate (250 μL) was added
filtrationSolid was collected by centrifuge filtration

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9e217005c3984af7a855bc53a61c2ff6
来源数据集: uspto-grants-2014_01
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US08633317B2
来源说明: uspto-grants-2014_01

反应SMILES

[NH2:1][C:2]1[C:7]2[C:8]([C:11]3[CH:16]=[CH:15][C:14]([NH:17][C:18]([NH:20][C:21]4[CH:26]=[CH:25][CH:24]=[C:23]([F:27])[CH:22]=4)=[O:19])=[CH:13][CH:12]=3)=[CH:9][S:10][C:6]=2[C:5]([C:28]2[CH:29]=[N:30][N:31]([CH2:33][CH2:34][OH:35])[CH:32]=2)=[CH:4][N:3]=1.[CH3:36][S:37]([OH:40])(=[O:39])=[O:38]>C(OCC)(=O)C>[S:37]([OH:40])(=[O:39])(=[O:38])[CH3:36].[NH2:1][C:2]1[C:7]2[C:8]([C:11]3[CH:12]=[CH:13][C:14]([NH:17][C:18]([NH:20][C:21]4[CH:26]=[CH:25][CH:24]=[C:23]([F:27])[CH:22]=4)=[O:19])=[CH:15][CH:16]=3)=[CH:9][S:10][C:6]=2[C:5]([C:28]2[CH:29]=[N:30][N:31]([CH2:33][CH2:34][OH:35])[CH:32]=2)=[CH:4][N:3]=1