HRID512488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID45158880

[2-(Trifluoromethyl)pyridin-4-yl]boronic acid

C6H5BF3NO2

结构：Cc1c(-c2cccc(C(F)(F)F)c2)c(=O)c(C(=O)O)cn1Cc1ccc(C#N)cc1

HCID86711527

未命名化合物

结构：Cc1c(Br)c(=O)c(C(=O)O)cn1Cc1ccc(C#N)cc1

HCID86711528

未命名化合物

结构：Cc1c(Br)c(=O)c(C(=O)O)cn1C(C)c1ccc(C#N)cc1

HCID86711530

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccnc(C(F)(F)F)c2)c(=O)c(C(=O)O)cn1C(C)c1ccc(C#N)cc1

HCID86711531

未命名化合物

PROCEDURE

实验过程

Preparation 4 is prepared following the procedure described for preparation 1d, substituting 3-(trifluoromethyl)phenylboronic acid with 2-(trifluoromethyl)pyridine-4-boronic acid and substituting preparation 1c with preparation 2b as starting material. ESI mass spectrum: [M+H]+=428; Retention time HPLC: 0.99 min (Z018_S04).

WORKUP

后处理

customPreparation 4
customis prepared
custom0.99 min (Z018_S04)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd409417a5054a9d81a2c873f0f2f97a
来源数据集: uspto-grants-2015_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09102624B2
来源说明: uspto-grants-2015_08

反应 SMILES

C(C1C=CC(CN2C(C)=C(C3C=CC=C(C(F)(F)F)C=3)C(=O)C(C(O)=O)=C2)=CC=1)#N.[F:31][C:32]([F:43])([F:42])[C:33]1[CH:38]=[C:37](B(O)O)[CH:36]=[CH:35][N:34]=1.BrC1C(=O)C(C(O)=O)=CN(CC2C=CC(C#N)=CC=2)C=1C.Br[C:66]1[C:67](=[O:86])[C:68]([C:83]([OH:85])=[O:84])=[CH:69][N:70]([CH:73]([C:75]2[CH:80]=[CH:79][C:78]([C:81]#[N:82])=[CH:77][CH:76]=2)[CH3:74])[C:71]=1[CH3:72]>>[C:81]([C:78]1[CH:77]=[CH:76][C:75]([CH:73]([N:70]2[CH:69]=[C:68]([C:83]([OH:85])=[O:84])[C:67](=[O:86])[C:66]([C:37]3[CH:36]=[CH:35][N:34]=[C:33]([C:32]([F:43])([F:42])[F:31])[CH:38]=3)=[C:71]2[CH3:72])[CH3:74])=[CH:80][CH:79]=1)#[N:82]