HRID507188

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID19188

Phenoxyacetic acid

C8H8O3

结构：C=CCOC(=O)c1ccc(N(Cc2ccc(OC(F)(F)F)cc2)C(=O)OC(C)(C)C)c(N)c1

HCID69106851

未命名化合物

PRODUCTS

生成物

结构：C=CCOC(=O)c1ccc(N(Cc2ccc(OC(F)(F)F)cc2)C(=O)OC(C)(C)C)c(NC(=O)COc2ccccc2)c1

HCID68466940

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

318 mg of phenoxyacetic acid were dissolved in methylenchloride and 0.36 ml of diisopropylcarbodiimide added. 950 mg of 3-amino-4-[tert-butoxycarbonyl-(4-trifluoromethoxy-benzyl)-amino]-benzoic acid allylester were added and the reaction mixture stirred at room temperature for 16 h. The product was extracted from methylenchloride/water without further characterization.

WORKUP

后处理

extractionThe product was extracted from methylenchloride/water without further characterization

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfe2d9bc9abb48e0b27104293e389912
来源数据集: uspto-grants-2010_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07786128B2
来源说明: uspto-grants-2010_08

反应 SMILES

[O:1]([CH2:8][C:9]([OH:11])=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(N=C=NC(C)C)(C)C.[CH2:21]([O:24][C:25](=[O:53])[C:26]1[CH:31]=[CH:30][C:29]([N:32]([C:45]([O:47][C:48]([CH3:51])([CH3:50])[CH3:49])=[O:46])[CH2:33][C:34]2[CH:39]=[CH:38][C:37]([O:40][C:41]([F:44])([F:43])[F:42])=[CH:36][CH:35]=2)=[C:28]([NH2:52])[CH:27]=1)[CH:22]=[CH2:23]>C(Cl)Cl>[CH2:21]([O:24][C:25](=[O:53])[C:26]1[CH:31]=[CH:30][C:29]([N:32]([C:45]([O:47][C:48]([CH3:50])([CH3:49])[CH3:51])=[O:46])[CH2:33][C:34]2[CH:39]=[CH:38][C:37]([O:40][C:41]([F:44])([F:42])[F:43])=[CH:36][CH:35]=2)=[C:28]([NH:52][C:9](=[O:11])[CH2:8][O:1][C:2]2[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=2)[CH:27]=1)[CH:22]=[CH2:23]