HRID496793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID999

Phenylacetic acid

C8H8O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2723939

1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride

C8H18ClN3

HCID10800516

4-(2-methylsulfonylphenyl)aniline

C13H13NO2S

PRODUCTS

生成物

结构：Cc1nc(-c2cccc(OC(C(=O)Nc3ccc(-c4ccccc4S(C)(=O)=O)cc3)c3ccccc3)c2)no1

HCID69735012

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

PROCEDURE

实验过程

A solution of 102 mg (0.330 mmol) of [3-(5-methyl[1,2,4)]oxadiazol-3-yl)phenoxy]-2-phenylacetic acid, 81.6 mg (0.330 mmol) of 2′-methanesulfonylbiphenyl-4-ylamine, 63.3 mg (0.330 mol) of N-(3-dimethylaminopropyl)-N′-ethylcarbodiimide hydrochloride (DAPECI) and 44.6 mg (0.330 mmol) of 1-hydroxybenzotriazole (HOBt) in 5 ml of DMF is treated with 0.036 ml (0.33 mmol) of 4-methylmorpholine and stirred at room temperature for 18 hours. The reaction mixture is added to water and the precipitate is filtered off. A colourless solid is obtained; FAB 540

WORKUP

后处理

filtrationthe precipitate is filtered off
customA colourless solid is obtained

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7a4450eb6c14346967b8bcd53fbee3b
来源数据集: uspto-grants-2005_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06946489B2
来源说明: uspto-grants-2005_09

反应 SMILES

[C:1]1([CH2:7][C:8]([OH:10])=O)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:11][S:12]([C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=1[C:21]1[CH:26]=[CH:25][C:24]([NH2:27])=[CH:23][CH:22]=1)(=[O:14])=[O:13].Cl.CN(C)CCC[N:34]=[C:35]=[N:36][CH2:37][CH3:38].ON1[C:45]2[CH:46]=CC=[CH:49][C:44]=2N=N1.CN1[CH2:56][CH2:55][O:54]CC1.CN(C=[O:61])C>O>[CH3:11][S:12]([C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=1[C:21]1[CH:22]=[CH:23][C:24]([NH:27][C:8](=[O:10])[CH:7]([O:54][C:55]2[CH:56]=[CH:46][CH:45]=[C:44]([C:35]3[N:36]=[C:37]([CH3:38])[O:61][N:34]=3)[CH:49]=2)[C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)=[CH:25][CH:26]=1)(=[O:13])=[O:14]