HRID2087458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2774534

2-(Ethylthio)Nicotinoyl Chloride

C8H8ClNOS

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

HCID69523474

未命名化合物

PRODUCTS

生成物

结构：CCSc1ncccc1C(=O)N[C@@H](CCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1)c1ccccc1

HCID58651336

未命名化合物

PROCEDURE

实验过程

Prepared by Procedure Q1 and Scheme AC using N-(3-{1-[(3S)-3-amino-3-phenylpropyl]-4-piperidinyl}phenyl)-2-methylpropanamide and 2-(ethylsulfanyl)nicotinoyl chloride: ESMS m/e: 545.3 (M+H)+.

WORKUP

后处理

customPrepared by Procedure Q1 and Scheme AC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4e149a1d1814ead8319123944857192
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

[NH2:1][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.[CH2:29]([S:31][C:32]1[N:40]=[CH:39][CH:38]=[CH:37][C:33]=1[C:34](Cl)=[O:35])[CH3:30]>>[CH2:29]([S:31][C:32]1[N:40]=[CH:39][CH:38]=[CH:37][C:33]=1[C:34]([NH:1][C@H:2]([C:23]1[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=1)[CH2:3][CH2:4][N:5]1[CH2:10][CH2:9][CH:8]([C:11]2[CH:16]=[CH:15][CH:14]=[C:13]([NH:17][C:18](=[O:22])[CH:19]([CH3:21])[CH3:20])[CH:12]=2)[CH2:7][CH2:6]1)=[O:35])[CH3:30]