HRID79967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)NC(CCOCC(F)(F)F)C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cc2)[nH]1

HCID66621107

未命名化合物

结构：COC(=O)NC(CCC(F)(F)F)C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5)[nH]4)cc3)cc2)[nH]1

HCID66621118

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(CCOCC(F)(F)F)C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5)[nH]4)cc3)cc2)[nH]1

HCID66620507

未命名化合物

PROCEDURE

实验过程

This compound was made by the same procedure as [4,4,4-Trifluoro-1-(2-{5-[4′-(2-pyrrolidin-2-yl-3H-imidazol-4-yl)-biphenyl-4-yl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-butyl]-carbamic acid methyl ester, using 2-{5-[4′-(2-{1-[2-Methoxycarbonylamino-4-(2,2,2-trifluoro-ethoxy)-butyryl]-pyrrolidin-2-yl}-3H-imidazol-4-yl)-biphenyl-4-yl]-1H-imidazol-2-yl}-pyrrolidine-1-carboxylic acid tert-butyl ester as the starting material. LCMS-ESI+: calculated for C34H38F3N7O4: 665.29; observed [M+1]+: 666.20.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-452862f688334d69a0a76d2191ad1b4a
来源数据集: uspto-grants-2014_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08841278B2
来源说明: uspto-grants-2014_09

反应 SMILES

COC(=O)NC(C(N1CCCC1C1NC(C2C=CC(C3C=CC(C4NC(C5CCCN5)=NC=4)=CC=3)=CC=2)=CN=1)=O)CCC(F)(F)F.C(OC([N:54]1[CH2:58][CH2:57][CH2:56][CH:55]1[C:59]1[NH:60][C:61]([C:64]2[CH:69]=[CH:68][C:67]([C:70]3[CH:75]=[CH:74][C:73]([C:76]4[NH:77][C:78]([CH:81]5[CH2:85][CH2:84][CH2:83][N:82]5[C:86](=[O:101])[CH:87]([NH:96][C:97]([O:99][CH3:100])=[O:98])[CH2:88][CH2:89][O:90][CH2:91][C:92]([F:95])([F:94])[F:93])=[N:79][CH:80]=4)=[CH:72][CH:71]=3)=[CH:66][CH:65]=2)=[CH:62][N:63]=1)=O)(C)(C)C>>[CH3:100][O:99][C:97](=[O:98])[NH:96][CH:87]([C:86]([N:82]1[CH2:83][CH2:84][CH2:85][CH:81]1[C:78]1[NH:77][C:76]([C:73]2[CH:74]=[CH:75][C:70]([C:67]3[CH:68]=[CH:69][C:64]([C:61]4[NH:60][C:59]([CH:55]5[CH2:56][CH2:57][CH2:58][NH:54]5)=[N:63][CH:62]=4)=[CH:65][CH:66]=3)=[CH:71][CH:72]=2)=[CH:80][N:79]=1)=[O:101])[CH2:88][CH2:89][O:90][CH2:91][C:92]([F:95])([F:93])[F:94]