HRID220225

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID15413

Methyl tert-butyl ether

C5H12O

结构：CC(C)(C)c1cc(NC(=O)NCc2cc(F)ccc2Oc2ccc3c(cnn3CCO)c2)n(-c2ccc(C#N)cc2)n1

HCID68783680

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(NC(=O)NCc2cc(F)ccc2Oc2ccc3c(cnn3CCO)c2)n(-c2ccc(C#N)cc2)n1.Cl

HCID68785458

未命名化合物

收率 83%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID3283

Diethyl Ether

C4H10O

PROCEDURE

实验过程

1-(3-tert-Butyl-1-(4-cyanophenyl)-1H-pyrazol-5-yl)-3-((5-fluoro-2-(1-(2-hydroxyethyl)-1H-indazole-5-yloxy)phenyl)methyl)urea (0.070 g, 0.12 mmol) was added to MTBE and stirred. Saturated HCl in diethyl ether was added until a precipitate dropped out. The precipitate was collected by filtration and dried to provide 61 mg (83%) of the desired compound.

WORKUP

后处理

additiondropped out
filtrationThe precipitate was collected by filtration
customdried

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09298fd172e94401a6a44662cfad1457
来源数据集: uspto-grants-2012_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08202899B2
来源说明: uspto-grants-2012_06

反应 SMILES

[C:1]([C:5]1[CH:9]=[C:8]([NH:10][C:11]([NH:13][CH2:14][C:15]2[CH:20]=[C:19]([F:21])[CH:18]=[CH:17][C:16]=2[O:22][C:23]2[CH:24]=[C:25]3[C:29](=[CH:30][CH:31]=2)[N:28]([CH2:32][CH2:33][OH:34])[N:27]=[CH:26]3)=[O:12])[N:7]([C:35]2[CH:40]=[CH:39][C:38]([C:41]#[N:42])=[CH:37][CH:36]=2)[N:6]=1)([CH3:4])([CH3:3])[CH3:2].CC(OC)(C)C.[ClH:49]>C(OCC)C>[ClH:49].[C:1]([C:5]1[CH:9]=[C:8]([NH:10][C:11]([NH:13][CH2:14][C:15]2[CH:20]=[C:19]([F:21])[CH:18]=[CH:17][C:16]=2[O:22][C:23]2[CH:24]=[C:25]3[C:29](=[CH:30][CH:31]=2)[N:28]([CH2:32][CH2:33][OH:34])[N:27]=[CH:26]3)=[O:12])[N:7]([C:35]2[CH:36]=[CH:37][C:38]([C:41]#[N:42])=[CH:39][CH:40]=2)[N:6]=1)([CH3:4])([CH3:2])[CH3:3]