HRID1832453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2736581

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride

C11H6Cl2FNO2

HCID22048659

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCCCCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1

HCID22048757

未命名化合物

PROCEDURE

实验过程

Prepared by Procedure Q1 and Scheme C2 (TEA) using N-{3-[1-(4-hydroxybutyl)-4-piperidinyl]phenyl}-2-methylpropanamide and 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbonyl chloride: Anal. Calcd for C30H35ClFN3O4+CH2Cl2: C, 63.3; H, 6.23; N, 7.33. Found: C, 63.0; H, 6.39; N, 7.03; ESMS m/e: 556.2 (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-6335beb146e144c7815b8b3dc3ac4448
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][CH2:2][CH2:3][CH2:4][CH2:5][N:6]1[CH2:11][CH2:10][CH:9]([C:12]2[CH:13]=[C:14]([NH:18][C:19](=[O:23])[CH:20]([CH3:22])[CH3:21])[CH:15]=[CH:16][CH:17]=2)[CH2:8][CH2:7]1.[Cl:24][C:25]1[CH:30]=[CH:29][CH:28]=[C:27]([F:31])[C:26]=1[C:32]1[C:36]([C:37](Cl)=[O:38])=[C:35]([CH3:40])[O:34][N:33]=1>>[Cl:24][C:25]1[CH:30]=[CH:29][CH:28]=[C:27]([F:31])[C:26]=1[C:32]1[C:36]([C:37]([O:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]2[CH2:7][CH2:8][CH:9]([C:12]3[CH:17]=[CH:16][CH:15]=[C:14]([NH:18][C:19](=[O:23])[CH:20]([CH3:21])[CH3:22])[CH:13]=3)[CH2:10][CH2:11]2)=[O:38])=[C:35]([CH3:40])[O:34][N:33]=1