HRID353561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)OCC)CCNCC2)cc1

HCID22626999

未命名化合物

反应SMILES：O=C([O-])N(CC#CCCl)c1cccc(Cl)c1

HCID23513901

未命名化合物

PRODUCTS

产物

反应SMILES：CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)OCC)CCN(CC#CCOC(=O)Nc3cccc(Cl)c3)CC2)cc1

HCID23513859

未命名化合物

收率 128.3%

PROCEDURE

实验过程

Ethyl-4-({[4-(2-butynyloxy)phenyl]sulfonyl}methyl)-1-(4-{[(3-chloroanilino)carbonyl]oxy}-2-butynyl)-4-piperidinecarboxylate was prepared according to the general method as outlined in Example 37 (step 1). Starting from 4-[[[4-(2-Butynyloxy)phenyl]sulfonyl]methyl]-4-piperidinecarboxylic acid ethyl ester (0.291 g, 0.7 mmol) and 4-chloro-2-butynyl-(3-chlorophenyl)carbamate (0.19 g, 0.735), 0.27 g (64%) of the desired product was isolated as pale yellow oil. Electrospray Mass Spec: 601.3 (M+H)+.

WORKUP

后处理

customEthyl-4-({[4-(2-butynyloxy)phenyl]sulfonyl}methyl)-1-(4-{[(3-chloroanilino)carbonyl]oxy}-2-butynyl)-4-piperidinecarboxylate was prepared

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e6ed30cbb3de4972aa83382c2217cdac
来源数据集: uspto-grants-2004_06
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US06753337B2
来源说明: uspto-grants-2004_06

反应SMILES

[CH2:1]([O:3][C:4]([C:6]1([CH2:12][S:13]([C:16]2[CH:21]=[CH:20][C:19]([O:22][CH2:23][C:24]#[C:25][CH3:26])=[CH:18][CH:17]=2)(=[O:15])=[O:14])[CH2:11][CH2:10][NH:9][CH2:8][CH2:7]1)=[O:5])[CH3:2].ClCC#CC[N:32]([C:36]1[CH:41]=[CH:40][CH:39]=[C:38]([Cl:42])[CH:37]=1)[C:33](=[O:35])[O-:34]>>[CH2:1]([O:3][C:4]([C:6]1([CH2:12][S:13]([C:16]2[CH:17]=[CH:18][C:19]([O:22][CH2:23][C:24]#[C:25][CH3:26])=[CH:20][CH:21]=2)(=[O:15])=[O:14])[CH2:7][CH2:8][N:9]([CH2:4][C:6]#[C:7][CH2:8][O:34][C:33]([NH:32][C:36]2[CH:41]=[CH:40][CH:39]=[C:38]([Cl:42])[CH:37]=2)=[O:35])[CH2:10][CH2:11]1)=[O:5])[CH3:2]