HRID2220760

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1048

Pyrazole

C3H4N2

结构：F[B-](F)(F)F.F[B-](F)(F)F.F[N+]12CC[N+](CCl)(CC1)CC2

HCID2724933

Selectfluor

C7H14B2ClF9N2

结构：Cc1c(C(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)nn(-c2ccccn2)c1NC(=O)c1ccccc1Cl

HCID59812227

未命名化合物

HCID178524563

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1[nH]nc(C(=O)NCCC2CCN(c3ccncc3)CC2)c1F)c1ccccc1Cl

HCID178522628

未命名化合物

PROCEDURE

实验过程

The pyrazole acid, prepared using compound 23 and SELECTFLUOR™ (Aldrich, 43,947-9) using a procedure similar to that described in Katoch-Rouse, R. et al., J. Med. Chem. 2003, 46, 642, was coupled to 2-(1-pyrimidin-2-yl-piperidin-4-yl)ethylamine (prepared as described in Procedure 14) using the method of Procedure 10.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8131e8d666b49bd98eb8c53019e3096
来源数据集: uspto-grants-2008_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07417152B2
来源说明: uspto-grants-2008_08

反应 SMILES

N1[CH:5]=[CH:4]C=N1.ClC1C=[CH:22][CH:21]=[CH:20][C:8]=1[C:9]([NH:11][C:12]1N[N:15]=[C:14](C(O)=O)[CH:13]=1)=O.[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1[N+]2(CCl)CC[N+]([F:44])(CC2)C1.O=[C:46]1NC2C=CC=CC=2C(C2C=CC=CC=2)=N[CH:47]1[NH:63][C:64]([C:66]1[C:70](C)=[C:69]([NH:72][C:73](=[O:81])[C:74]2[CH:79]=[CH:78][CH:77]=[CH:76][C:75]=2[Cl:80])[N:68](C2C=CC=CN=2)[N:67]=1)=[O:65]>>[N:11]1([C:12]2[CH:13]=[CH:14][N:15]=[CH:5][CH:4]=2)[CH2:9][CH2:8][CH:20]([CH2:46][CH2:47][NH:63][C:64]([C:66]2[C:70]([F:44])=[C:69]([NH:72][C:73](=[O:81])[C:74]3[CH:79]=[CH:78][CH:77]=[CH:76][C:75]=3[Cl:80])[NH:68][N:67]=2)=[O:65])[CH2:21][CH2:22]1