HRID1641482

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15413

Methyl tert-butyl ether

C5H12O

结构：Cc1c(CCCC(=O)O)c2c(F)ccc(C#Cc3ccc(OCCCCc4c(F)c(F)c(F)c(F)c4F)cc3)c2n1CCCC(=O)O

HCID46830960

未命名化合物

PRODUCTS

生成物

结构：Cc1c(F)cccc1CCCCOc1ccc(C#Cc2ccc(F)c3c(CCCC(=O)O)c(C)n(CCCC(=O)O)c23)cc1

HCID46830962

未命名化合物

PROCEDURE

实验过程

The compound (30 mg) prepared in Example 14 (2) was dissolved in methyl tertiary butyl ether (2.4 mL) at 60° C. The solution was cooled to room temperature to induce crystallization. The precipitated solid was filtered and dried under reduced pressure to obtain the title compound (24 mg).

WORKUP

后处理

customcrystallization
filtrationThe precipitated solid was filtered
customdried under reduced pressure

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82c0bb43433e4e2eb5b619fc60efcb96
来源数据集: uspto-grants-2012_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08115014B2
来源说明: uspto-grants-2012_02

反应 SMILES

[F:1][C:2]1[CH:10]=[CH:9][C:8]([C:11]#[C:12][C:13]2[CH:18]=[CH:17][C:16]([O:19][CH2:20][CH2:21][CH2:22][CH2:23][C:24]3[C:29](F)=[C:28]([F:31])[C:27](F)=[C:26](F)[C:25]=3F)=[CH:15][CH:14]=2)=[C:7]2[C:3]=1[C:4]([CH2:42][CH2:43][CH2:44][C:45]([OH:47])=[O:46])=[C:5]([CH3:41])[N:6]2[CH2:35][CH2:36][CH2:37][C:38]([OH:40])=[O:39].[C:48](OC)(C)(C)C>>[F:1][C:2]1[CH:10]=[CH:9][C:8]([C:11]#[C:12][C:13]2[CH:18]=[CH:17][C:16]([O:19][CH2:20][CH2:21][CH2:22][CH2:23][C:24]3[CH:25]=[CH:26][CH:27]=[C:28]([F:31])[C:29]=3[CH3:48])=[CH:15][CH:14]=2)=[C:7]2[C:3]=1[C:4]([CH2:42][CH2:43][CH2:44][C:45]([OH:47])=[O:46])=[C:5]([CH3:41])[N:6]2[CH2:35][CH2:36][CH2:37][C:38]([OH:40])=[O:39]