HRID551488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22382040

2-Chloro-6-methylbenzoyl chloride

C8H6Cl2O

结构：CCNCC(O)(CNc1cc(C)cc2c1cnn2-c1ccc(F)cc1)C(F)(F)F

HCID59324145

未命名化合物

PRODUCTS

生成物

结构：CCN(CC(O)(CNc1cc(C)cc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(C)cccc1Cl

HCID59324131

未命名化合物

PROCEDURE

实验过程

Prepared similarly to Example 56 from 2-chloro-6-methylbenzoylchloride and 3-(ethylamino)-1,1,1-trifluoro-2-({[1-(4-fluorophenyl)-6-methyl-1H-indazol-4-yl]amino}methyl)-2-propanol. Purification by mass directed autopreparation (System B) resulted in separation of atropisomers of the title compound:

WORKUP

后处理

customPurification by mass

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc0203edc06a4d7fa0243dea65dd8366
来源数据集: uspto-grants-2011_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07947727B2
来源说明: uspto-grants-2011_05

反应 SMILES

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