HRID1487994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8082

Piperidine

C5H11N

反应SMILES：Cc1nc(C)c(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)ccc2F)[nH]1

HCID178432707

未命名化合物

反应SMILES：Cc1nnc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(C)cc2F)[nH]1

HCID178433961

未命名化合物

2 次

PRODUCTS

产物

反应SMILES：Cc1nnc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(C)cc2N2CCCCC2)[nH]1

HCID178433962

未命名化合物

PROCEDURE

实验过程

The title compound was prepared using standard chemical manipulations and procedures similar to those used for the preparation of compound 25, except 4-(1-(4-fluoro-2-methyl-5-(5-methyl-4H-1,2,4-triazol-3-yl)benzoyl)piperidin-4-yl)benzonitrile (compound 101.4) was used in place of 4-(1-(3-(2,4-dimethyl-1H-imidazol-5-yl)-4-fluorobenzoyl)piperidin-4-yl)benzonitrile (compound 25.1) and piperidine was used in place of azetidine hydrochloride. m/z (ES+) 469 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c6b7836a31f74278bebe414fff90b666
来源数据集: uspto-grants-2016_08
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US09428502B2
来源说明: uspto-grants-2016_08

反应SMILES

F[C:2]1[C:23]([C:24]2[NH:28][C:27]([CH3:29])=[N:26][N:25]=2)=[CH:22][C:5]([C:6]([N:8]2[CH2:13][CH2:12][CH:11]([C:14]3[CH:21]=[CH:20][C:17]([C:18]#[N:19])=[CH:16][CH:15]=3)[CH2:10][CH2:9]2)=[O:7])=[C:4]([CH3:30])[CH:3]=1.CC1NC(C2C=C(C=CC=2F)C([N:43]2[CH2:48][CH2:47][CH:46](C3C=CC(C#N)=CC=3)[CH2:45][CH2:44]2)=O)=C(C)N=1.N1CCCCC1>>[CH3:30][C:4]1[CH:3]=[C:2]([N:43]2[CH2:48][CH2:47][CH2:46][CH2:45][CH2:44]2)[C:23]([C:24]2[NH:28][C:27]([CH3:29])=[N:26][N:25]=2)=[CH:22][C:5]=1[C:6]([N:8]1[CH2:9][CH2:10][CH:11]([C:14]2[CH:21]=[CH:20][C:17]([C:18]#[N:19])=[CH:16][CH:15]=2)[CH2:12][CH2:13]1)=[O:7]