HRID1037421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22273603

2-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C13H15BFNO2

结构：CC(C)Cn1cc(-c2nccc3c(=O)c(-c4ccc(C5(N)CCC5)cc4)c(-c4ccccc4)oc23)cn1

HCID67067767

未命名化合物

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4c(Cl)nccc4c3=O)cc2)CCC1

HCID86671031

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4c(-c5cccc(F)c5C#N)nccc4c3=O)cc2)CCC1

HCID86671061

未命名化合物

收率 44%

PROCEDURE

实验过程

Following the procedure used to prepare 3-(4-(1-aminocyclobutyl)phenyl)-8-(1-isobutyl-1H-pyrazol-4-yl)-2-phenyl-4H-pyrano[2,3-c]pyridin-4-one, tert-butyl 1-(4-(8-chloro-4-oxo-2-phenyl-4H-pyrano[2,3-c]pyridin-3-yl)phenyl)cyclobutylcarbamate was reacted with 2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile to give the title compound (40 mg, 44%). LCMS (Method I): RT=7.90 min, [M+H]+=532 (-tBu).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-626b5a21c2964c5da31dca1c7bf6569e
来源数据集: uspto-grants-2013_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08546376B2
来源说明: uspto-grants-2013_10

反应 SMILES

NC1(C2C=CC(C3C(=O)C4C(OC=3C3C=CC=CC=3)=C(C3C=NN(CC(C)C)C=3)N=CC=4)=CC=2)CCC1.Cl[C:39]1[N:40]=[CH:41][CH:42]=[C:43]2[C:48](=[O:49])[C:47]([C:50]3[CH:55]=[CH:54][C:53]([C:56]4([NH:60][C:61](=[O:67])[O:62][C:63]([CH3:66])([CH3:65])[CH3:64])[CH2:59][CH2:58][CH2:57]4)=[CH:52][CH:51]=3)=[C:46]([C:68]3[CH:73]=[CH:72][CH:71]=[CH:70][CH:69]=3)[O:45][C:44]=12.[F:74][C:75]1[CH:82]=[CH:81][CH:80]=[C:79](B2OC(C)(C)C(C)(C)O2)[C:76]=1[C:77]#[N:78]>>[C:77]([C:76]1[C:75]([F:74])=[CH:82][CH:81]=[CH:80][C:79]=1[C:39]1[N:40]=[CH:41][CH:42]=[C:43]2[C:48](=[O:49])[C:47]([C:50]3[CH:55]=[CH:54][C:53]([C:56]4([NH:60][C:61](=[O:67])[O:62][C:63]([CH3:66])([CH3:65])[CH3:64])[CH2:59][CH2:58][CH2:57]4)=[CH:52][CH:51]=3)=[C:46]([C:68]3[CH:69]=[CH:70][CH:71]=[CH:72][CH:73]=3)[O:45][C:44]=12)#[N:78]