HRID1269329

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID229097

hydroxy[bis(4-methylphenyl)]acetic acid

C16H16O3

结构：CC(C)C(=O)Nc1cc(C2CCN(CCCN)CC2)c(F)cc1F

HCID16757466

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(O)(C(=O)NCCCN2CCC(c3cc(NC(=O)C(C)C)c(F)cc3F)CC2)c2ccc(C)cc2)cc1

HCID18446853

未命名化合物

PROCEDURE

实验过程

Example 159 was prepared from hydroxy[bis(4-methylphenyl)]acetic acid and N-{5-[1-(3-aminopropyl)-4-piperidinyl]-2,4-difluorophenyl}-2-methylpropanamide according to the procedures described in Scheme 12: 1H NMR (400 MHz, CDCl3) δ 8.78–8.62 (s, br, 1 H), 8.37 (t, 1 H, J=9.6 Hz), 7.40 (d, 4 H, J=8.4 Hz), 7.28 (s, 1 H), 7.09 (d, 4 H, J=8.0 Hz), 6.84–6.74 (m, 1 H), 5.14–4.82 (br, 1 H), 3.55–3.40 (m, 2 H), 3.11–2.94 (m, 2 H), 2.94–2.78 (m, 1 H), 2.59–2.46 (m, 2 H), 2.46–2.36 (m, 1 H), 2.31 (s, 6 H), 2.11–1.91 (m, 4 H), 1.77–1.61 (m, 4 H), 1.04 (d, 6 H, J=7.2 Hz); ESMS m/e: 578.4 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9df4e4249164be7ac97364302ffe9b1
来源数据集: uspto-grants-2007_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07199135B2
来源说明: uspto-grants-2007_04

反应 SMILES

[OH:1][C:2]([C:13]1[CH:18]=[CH:17][C:16]([CH3:19])=[CH:15][CH:14]=1)([C:6]1[CH:11]=[CH:10][C:9]([CH3:12])=[CH:8][CH:7]=1)[C:3](O)=[O:4].[NH2:20][CH2:21][CH2:22][CH2:23][N:24]1[CH2:29][CH2:28][CH:27]([C:30]2[C:31]([F:43])=[CH:32][C:33]([F:42])=[C:34]([NH:36][C:37](=[O:41])[CH:38]([CH3:40])[CH3:39])[CH:35]=2)[CH2:26][CH2:25]1>>[F:42][C:33]1[CH:32]=[C:31]([F:43])[C:30]([CH:27]2[CH2:26][CH2:25][N:24]([CH2:23][CH2:22][CH2:21][NH:20][C:3](=[O:4])[C:2]([OH:1])([C:13]3[CH:18]=[CH:17][C:16]([CH3:19])=[CH:15][CH:14]=3)[C:6]3[CH:11]=[CH:10][C:9]([CH3:12])=[CH:8][CH:7]=3)[CH2:29][CH2:28]2)=[CH:35][C:34]=1[NH:36][C:37](=[O:41])[CH:38]([CH3:39])[CH3:40]