HRID528941

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCCCN(CCCC)C(=O)c1nn(-c2ccc(C(=O)NS(=O)(=O)c3ccc4ccccc4c3)cc2C(=O)O)c(C)c1Cl

HCID71062145

未命名化合物

结构：CCCCN(CCCC)C(=O)c1nn(-c2ccc(C(=O)NS(=O)(=O)c3ccc4cccc(OCCN5CCOCC5)c4c3)cc2C(=O)OCC)c(C)c1Cl

HCID71062288

未命名化合物

PRODUCTS

生成物

结构：CCCCN(CCCC)C(=O)c1nn(-c2ccc(C(=O)NS(=O)(=O)c3ccc4cccc(OCCN5CCOCC5)c4c3)cc2C(=O)O)c(C)c1Cl

HCID71062273

未命名化合物

收率 99.9%

PROCEDURE

实验过程

Following a procedure analogous to that for the synthesis of Intermediate 91F, ethyl 2-(4-chloro-3-(dibutylcarbamoyl)-5-methyl-1H-pyrazol-1-yl)-5-(8-(2-morpholinoethoxy)naphthalen-2-ylsulfonylcarbamoyl)benzoate (105 mg, 0.13 mmol) was converted to the title compound (98 mg, 97%). MS(ESI+) m/z 754.2 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1583ffd41af541f7b9b686bcd17c9348
来源数据集: uspto-grants-2016_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09346795B2
来源说明: uspto-grants-2016_05

反应 SMILES

ClC1C(C(=O)N(CCCC)CCCC)=NN(C2C=CC(C(=O)NS(C3C=CC4C(=CC=CC=4)C=3)(=O)=O)=CC=2C(O)=O)C=1C.[Cl:44][C:45]1[C:46]([C:87](=[O:97])[N:88]([CH2:93][CH2:94][CH2:95][CH3:96])[CH2:89][CH2:90][CH2:91][CH3:92])=[N:47][N:48]([C:51]2[CH:61]=[CH:60][C:59]([C:62](=[O:86])[NH:63][S:64]([C:67]3[CH:76]=[CH:75][C:74]4[C:69](=[C:70]([O:77][CH2:78][CH2:79][N:80]5[CH2:85][CH2:84][O:83][CH2:82][CH2:81]5)[CH:71]=[CH:72][CH:73]=4)[CH:68]=3)(=[O:66])=[O:65])=[CH:58][C:52]=2[C:53]([O:55]CC)=[O:54])[C:49]=1[CH3:50]>>[Cl:44][C:45]1[C:46]([C:87](=[O:97])[N:88]([CH2:89][CH2:90][CH2:91][CH3:92])[CH2:93][CH2:94][CH2:95][CH3:96])=[N:47][N:48]([C:51]2[CH:61]=[CH:60][C:59]([C:62](=[O:86])[NH:63][S:64]([C:67]3[CH:76]=[CH:75][C:74]4[C:69](=[C:70]([O:77][CH2:78][CH2:79][N:80]5[CH2:81][CH2:82][O:83][CH2:84][CH2:85]5)[CH:71]=[CH:72][CH:73]=4)[CH:68]=3)(=[O:66])=[O:65])=[CH:58][C:52]=2[C:53]([OH:55])=[O:54])[C:49]=1[CH3:50]