HRID2088052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8487

3-Hydroxyacetophenone

C8H8O2

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCCCC(O)c3ccc(Cl)cc3)CC2)c1

HCID22049304

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1cccc(OC(CCCCCN2CCC(c3cccc(NC(=O)C(C)C)c3)CC2)c2ccc(Cl)cc2)c1

HCID22049540

未命名化合物

PROCEDURE

实验过程

Prepared by Procedure A and Scheme AN using 1-(3-hydroxyphenyl)ethanone and N-(3-{1-[6-(4-chlorophenyl)-6-hydroxyhexyl]-4-piperidinyl}phenyl)-2-methylpropanamide: 1H NMR (400 MHz, CDCl3), HCl salt δ 8.41 (s, 1H), 7.72-6.84 (m, 12H), 5.18-5.10 (m, 1H), 3.62-3.50 (m, br, 2H), 3.00-2.92 (m, 2H), 2.90-2.58 (m, 4H), 2.54 (s, 3H), 2.50-2.12 (m, 2H), 2.02-1.70 (m, br, 6H), 1.64-1.50 (m, br, 1H), 1.50-1.14 (m, br, 3H), 1.25 (d, 6H, J=6.8 Hz); ESMS m/e: 575.3 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18c63ebba191457399484d64ea50ca3e
来源数据集: uspto-grants-2004_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06727264B1
来源说明: uspto-grants-2004_04

反应 SMILES

[OH:1][C:2]1[CH:3]=[C:4]([C:8](=[O:10])[CH3:9])[CH:5]=[CH:6][CH:7]=1.[Cl:11][C:12]1[CH:17]=[CH:16][C:15]([CH:18](O)[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][N:24]2[CH2:29][CH2:28][CH:27]([C:30]3[CH:31]=[C:32]([NH:36][C:37](=[O:41])[CH:38]([CH3:40])[CH3:39])[CH:33]=[CH:34][CH:35]=3)[CH2:26][CH2:25]2)=[CH:14][CH:13]=1.Cl>>[C:8]([C:4]1[CH:3]=[C:2]([CH:7]=[CH:6][CH:5]=1)[O:1][CH:18]([C:15]1[CH:14]=[CH:13][C:12]([Cl:11])=[CH:17][CH:16]=1)[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][N:24]1[CH2:25][CH2:26][CH:27]([C:30]2[CH:31]=[C:32]([NH:36][C:37](=[O:41])[CH:38]([CH3:40])[CH3:39])[CH:33]=[CH:34][CH:35]=2)[CH2:28][CH2:29]1)(=[O:10])[CH3:9]