HRID394136

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID2734338

3,5-Difluorophenylboronic acid

C6H5BF2O2

结构：CC(C)(C)N1CC=C(c2cc(Br)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1

HCID22648193

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)N1CCC(c2cc(-c3ccc(F)cc3)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1

HCID22648127

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 5-bromo-7-(1-tert-butyl-1,2,3,6-tetrahydropyridin-4-yl)-1-(2,6-dichlorophenyl)quinolin-2(1H)-one (INTERMEDIATE ABA5) and using 3,5-difluorophenylboronic acid as described in EXAMPLE ABA11. 1H NMR (CD3OD, 500 MHz) TFA salt: δ 1.416 (s, 9H), 1.827 (m, 2H), 2.119 (d, J=14.7 Hz, 2H), 2.948 (m, 1H), 3.063 (t, J=11.0 Hz, 2H), 3.675 (d, J=12.6 Hz, 2H), 6.497 (s, 1H), 6.747 (d, J=9.9 Hz, 1H). 7.122 (m, 3H), 7.249 (s, 1H), 7.619 (t, J=7.6 Hz, 1H), 7.728 (m, 2H), 7.987 (d, J=10.1 Hz, 1H). Mass spectrum (ES): 541.5 (M+1).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9361b32b69744728a7e2de1ab063d40c
来源数据集: uspto-grants-2004_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06809199B2
来源说明: uspto-grants-2004_10

反应 SMILES

Br[C:2]1[CH:11]=[C:10]([C:12]2[CH2:13][CH2:14][N:15]([C:18]([CH3:21])([CH3:20])[CH3:19])[CH2:16][CH:17]=2)[CH:9]=[C:8]2[C:3]=1[CH:4]=[CH:5][C:6](=[O:30])[N:7]2[C:22]1[C:27]([Cl:28])=[CH:26][CH:25]=[CH:24][C:23]=1[Cl:29].[F:31][C:32]1[CH:33]=[C:34](B(O)O)[CH:35]=[C:36](F)[CH:37]=1.C(O)(C(F)(F)F)=O>>[C:18]([N:15]1[CH2:14][CH2:13][CH:12]([C:10]2[CH:9]=[C:8]3[C:3]([CH:4]=[CH:5][C:6](=[O:30])[N:7]3[C:22]3[C:27]([Cl:28])=[CH:26][CH:25]=[CH:24][C:23]=3[Cl:29])=[C:2]([C:35]3[CH:34]=[CH:33][C:32]([F:31])=[CH:37][CH:36]=3)[CH:11]=2)[CH2:17][CH2:16]1)([CH3:19])([CH3:21])[CH3:20]