HRID2242387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19611788

未命名化合物

结构：N#Cc1ccc2c(c1)cc(C(=O)NCC1(CO)CCCC1)n2Cc1cccc(OC(F)(F)F)c1

HCID24890015

未命名化合物

结构：N#Cc1ccc2c(c1)cc(C(=O)O)n2Cc1cccc(OC(F)(F)F)c1

HCID68543106

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)CNC(=O)c1cc2cc(C#N)ccc2n1Cc1cccc(OC(F)(F)F)c1

HCID68546881

未命名化合物

收率 51%

PROCEDURE

实验过程

3-{[5-Cyano-1-(3-trifluoromethoxybenzyl)-1H-indole-2-carbonyl]amino}-2-methyl-propionic acid ethyl ester was prepared in the same manner as 5-cyano-1-(3-trifluoromethoxybenzyl)-1H-indole-2-carboxylic acid (1-hydroxymethyl-cyclopentylmethyl)amide from 5-cyano-1-(3-trifluoromethoxybenzyl)-1H-indole-2-carboxylic acid (300 mg, 83.3 mmol) and 3-aminoisobutyric acid ethyl ester, hydrochloride (168 mg, 0.10 mmol) giving 3-{[5-cyano-1-(3-trifluoromethoxybenzyl)-1H-indole-2-carbonyl]amino}-2-methylpropionic acid ethyl ester (204 mg, 51%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-007d6af0b4ce4db58f78222ee98d54c2
来源数据集: uspto-grants-2010_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07671080B2
来源说明: uspto-grants-2010_03

反应 SMILES

OCC1(CN[C:10]([C:12]2[N:13]([CH2:23][C:24]3[CH:29]=[CH:28][CH:27]=[C:26]([O:30][C:31]([F:34])([F:33])[F:32])[CH:25]=3)[C:14]3[C:19]([CH:20]=2)=[CH:18][C:17]([C:21]#[N:22])=[CH:16][CH:15]=3)=[O:11])CCCC1.C(C1C=C2C(=CC=1)N(CC1C=CC=C(OC(F)(F)F)C=1)C(C(O)=O)=C2)#N.Cl.[CH2:62]([O:64][C:65](=[O:70])[CH:66]([CH3:69])[CH2:67][NH2:68])[CH3:63]>>[CH2:62]([O:64][C:65](=[O:70])[CH:66]([CH3:69])[CH2:67][NH:68][C:10]([C:12]1[N:13]([CH2:23][C:24]2[CH:29]=[CH:28][CH:27]=[C:26]([O:30][C:31]([F:34])([F:32])[F:33])[CH:25]=2)[C:14]2[C:19]([CH:20]=1)=[CH:18][C:17]([C:21]#[N:22])=[CH:16][CH:15]=2)=[O:11])[CH3:63]