HRID473308

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1004

Phosphoric acid

H3O4P

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

HCID46207586

Ilorasertib

C25H21FN6O2S

PRODUCTS

生成物

结构：Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12.O=P(O)(O)O

HCID54759821

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID3776

Isopropanol

C3H8O

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 (18 mg) was suspended in 2-propanol (150 μL). Phosphoric acid solution (85%, 5 μL) was added to the suspension. The suspension was stirred at ambient temperatures for 10 days. Solid was collected by centrifuge filtration.

WORKUP

后处理

filtrationSolid was collected by centrifuge filtration

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37ddfbf1e6db4b4fba5090c11053d6d4
来源数据集: uspto-grants-2014_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: 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.[P:36](=[O:40])([OH:39])([OH:38])[OH:37]>CC(O)C>[P:36]([OH:40])([OH:39])([OH:38])=[O:37].[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