HRID1917115

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67561

alpha,alpha,alpha-Trifluoro-o-toluoyl chloride

C8H4ClF3O

HCID16352503

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(N2CCN(C(=O)c3ccccc3C(F)(F)F)C(=O)C2)c(=O)n(C)c1=O

HCID58269766

未命名化合物

结构：Cn1nc(N2CCN(C(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)CC2)c(=O)n(C)c1=O

HCID58269815

未命名化合物

收率 77%

PROCEDURE

实验过程

The compound 53 (solid) is prepared from 2-trifluoromethyl-benzoyl chloride and from the intermediate 12b according to the synthesis method 2 under the operating conditions described for Example 40 (yield: 77%).

WORKUP

后处理

customaccording to the synthesis method 2 under the operating conditions

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac03d22165ba44bbb08a8d2fbb7ec138
来源数据集: uspto-grants-2013_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08618287B2
来源说明: uspto-grants-2013_12

反应 SMILES

[F:1][C:2]([F:13])([F:12])[C:3]1[CH:11]=[CH:10][CH:9]=[CH:8][C:4]=1[C:5](Cl)=[O:6].[CH3:14][N:15]1[C:20](=[O:21])[N:19]([CH3:22])[C:18](=[O:23])[C:17]([N:24]2[CH2:29][CH2:28][NH:27][C:26](=[O:30])[CH2:25]2)=[N:16]1>>[CH3:14][N:15]1[C:20](=[O:21])[N:19]([CH3:22])[C:18](=[O:23])[C:17]([N:24]2[CH2:29][CH2:28][N:27]([C:5](=[O:6])[C:4]3[CH:8]=[CH:9][CH:10]=[CH:11][C:3]=3[C:2]([F:13])([F:12])[F:1])[C:26](=[O:30])[CH2:25]2)=[N:16]1.[F:1][C:2]([F:13])([F:12])[C:3]1[CH:11]=[CH:10][C:9]([C:2]([F:13])([F:12])[F:1])=[CH:8][C:4]=1[C:5]([N:27]1[CH2:28][CH2:29][N:24]([C:17]2[C:18](=[O:23])[N:19]([CH3:22])[C:20](=[O:21])[N:15]([CH3:14])[N:16]=2)[CH2:25][CH2:26]1)=[O:6]