HRID473298

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

PRODUCTS

生成物

HCID1004

Phosphoric acid

H3O4P

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

HCID46207586

Ilorasertib

C25H21FN6O2S

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID1031

1-Propanol

C3H8O

PROCEDURE

实验过程

There is further provided a process for preparing N-(4-{4-amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-N′-(3-fluorophenyl)urea phosphate in a solid crystalline form, wherein the crystalline form is Form X, comprising: a) providing a mixture comprising (i) 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, propanol, and phosphoric acid; b) causing N-(4-{4-amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-N′-(3-fluorophenyl)urea phosphate crystalline Form X to exist in the mixture.

WORKUP

后处理

customThere is further provided a process

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0d427e0ed82474fb209ed54de6d92b0
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

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