HRID472767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

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

HCID54767922

未命名化合物

PRODUCTS

生成物

HCID311

Citric acid

C6H8O7

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HCID8028

Tetrahydrofuran

C4H8O

PROCEDURE

实验过程

There is further provided 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 hydrogen citrate Form II comprising providing a mixture comprising N-(4-{4-amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-N′-(3-fluorophenyl)urea, water, tetrahydrofuran, and citric acid, and causing the N-(4-{4-amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-N′-(3-fluorophenyl)urea hydrogen citrate Form II to exist in the mixture.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d63c84fef7b4c6084423af24863607c
来源数据集: uspto-grants-2014_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08633217B2
来源说明: uspto-grants-2014_01

反应 SMILES

[C:1]([OH:13])(=[O:12])[CH2:2][C:3]([CH2:8][C:9]([OH:11])=[O:10])([C:5]([OH:7])=[O:6])[OH:4].[NH2:14][C:15]1[C:20]2[C:21]([C:24]3[CH:29]=[CH:28][C:27]([NH:30][C:31]([NH:33][C:34]4[CH:39]=[CH:38][CH:37]=[C:36]([F:40])[CH:35]=4)=[O:32])=[CH:26][CH:25]=3)=[CH:22][S:23][C:19]=2[C:18]([C:41]2[CH:42]=[N:43][N:44]([CH2:46][CH2:47][OH:48])[CH:45]=2)=[CH:17][N:16]=1.O>O1CCCC1>[NH2:14][C:15]1[C:20]2[C:21]([C:24]3[CH:25]=[CH:26][C:27]([NH:30][C:31]([NH:33][C:34]4[CH:39]=[CH:38][CH:37]=[C:36]([F:40])[CH:35]=4)=[O:32])=[CH:28][CH:29]=3)=[CH:22][S:23][C:19]=2[C:18]([C:41]2[CH:42]=[N:43][N:44]([CH2:46][CH2:47][OH:48])[CH:45]=2)=[CH:17][N:16]=1.[C:1]([OH:13])(=[O:12])[CH2:2][C:3]([CH2:8][C:9]([OH:11])=[O:10])([C:5]([OH:7])=[O:6])[OH:4]