HRID1518306

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)n1nc(-c2cccc(O)c2)c(C#N)c1N

HCID59447530

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1nc(N2CCc3cccc(C(=O)N(COCC[Si](C)(C)C)c4nc5ccccc5s4)c3C2)sc1CCCOc1cccc(-c2nn(C(=O)OC(C)(C)C)c(N)c2C#N)c1

HCID86761597

未命名化合物

PROCEDURE

实验过程

The title compound 39A was prepared in a similar manner to the synthesis of compound 35A by substituting compound 34D and compound 31F with compound 38E and compound 36A, respectively as a mixture of two inseparable isomers: MS (ESI(+)): 934 (M+H).

WORKUP

后处理

additionrespectively as a mixture of two inseparable isomers

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8bafd7a71c0d4707bd07a9c6d518f6d9
来源数据集: uspto-grants-2012_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08232273B2
来源说明: uspto-grants-2012_07

反应 SMILES

NC1N(C(OC(C)(C)C)=O)N=C(C2C=CC(OCC3C=CC(C4SC(N5CCC6C(=C(C(=O)N(C7SC8C=CC=CC=8N=7)COCC[Si](C)(C)C)C=CC=6)C5)=NC=4C(OCC)=O)=CC=3)=CC=2)C=1C#N.[NH2:70][C:71]1[N:75]([C:76]([O:78][C:79]([CH3:82])([CH3:81])[CH3:80])=[O:77])[N:74]=[C:73]([C:83]2[CH:88]=[CH:87][C:86](O)=[CH:85][CH:84]=2)[C:72]=1[C:90]#[N:91].[S:92]1[C:96]2[CH:97]=[CH:98][CH:99]=[CH:100][C:95]=2[N:94]=[C:93]1[N:101]([CH2:130][O:131][CH2:132][CH2:133][Si:134]([CH3:137])([CH3:136])[CH3:135])[C:102]([C:104]1[CH:105]=[CH:106][CH:107]=[C:108]2[C:113]=1[CH2:112][N:111]([C:114]1[S:115][C:116]([CH2:126][CH2:127][CH2:128][OH:129])=[C:117]([C:119]([O:121][C:122]([CH3:125])([CH3:124])[CH3:123])=[O:120])[N:118]=1)[CH2:110][CH2:109]2)=[O:103].NC1N(C(OC(C)(C)C)=O)N=C(C2C=CC=C(O)C=2)C=1C#N>>[NH2:70][C:71]1[N:75]([C:76]([O:78][C:79]([CH3:80])([CH3:81])[CH3:82])=[O:77])[N:74]=[C:73]([C:83]2[CH:88]=[C:87]([CH:86]=[CH:85][CH:84]=2)[O:129][CH2:128][CH2:127][CH2:126][C:116]2[S:115][C:114]([N:111]3[CH2:110][CH2:109][C:108]4[C:113](=[C:104]([C:102](=[O:103])[N:101]([C:93]5[S:92][C:96]6[CH:97]=[CH:98][CH:99]=[CH:100][C:95]=6[N:94]=5)[CH2:130][O:131][CH2:132][CH2:133][Si:134]([CH3:136])([CH3:135])[CH3:137])[CH:105]=[CH:106][CH:107]=4)[CH2:112]3)=[N:118][C:117]=2[C:119]([O:121][C:122]([CH3:125])([CH3:124])[CH3:123])=[O:120])[C:72]=1[C:90]#[N:91]