HRID1832452

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID78212

3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride

C11H6Cl3NO2

结构：CC(C)C(=O)Nc1cccc(C2CCN(CC[C@H](O)c3ccccc3)CC2)c1

HCID60078700

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O[C@@H](CCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1)c1ccccc1

HCID58651314

未命名化合物

PROCEDURE

实验过程

Prepared by Procedure Q1 and Scheme C2 (TEA) using N-(3-{1-[(3S)-3-hydroxy-3-phenylpropyl]-4-piperidinyl}phenyl)-2-methylpropanamide and 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarbonyl chloride: ESMS m/e: 633.6 (M+H)+.

WORKUP

后处理

customPrepared by Procedure Q1 and Scheme C2 (TEA)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65918d082c8e4c0faf63b705301e5421
来源数据集: uspto-grants-2006_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07067534B1
来源说明: uspto-grants-2006_06

反应 SMILES

[OH:1][C@H:2]([C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1)[CH2:3][CH2:4][N:5]1[CH2:10][CH2:9][CH:8]([C:11]2[CH:12]=[C:13]([NH:17][C:18](=[O:22])[CH:19]([CH3:21])[CH3:20])[CH:14]=[CH:15][CH:16]=2)[CH2:7][CH2:6]1.[Cl:29][C:30]1[CH:35]=[CH:34][CH:33]=[C:32]([Cl:36])[C:31]=1[C:37]1[C:41]([C:42](Cl)=[O:43])=[C:40]([CH3:45])[O:39][N:38]=1>>[Cl:29][C:30]1[CH:35]=[CH:34][CH:33]=[C:32]([Cl:36])[C:31]=1[C:37]1[C:41]([C:42]([O:1][C@H:2]([C:23]2[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=2)[CH2:3][CH2:4][N:5]2[CH2:10][CH2:9][CH:8]([C:11]3[CH:16]=[CH:15][CH:14]=[C:13]([NH:17][C:18](=[O:22])[CH:19]([CH3:21])[CH3:20])[CH:12]=3)[CH2:7][CH2:6]2)=[O:43])=[C:40]([CH3:45])[O:39][N:38]=1