HRID1518297

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：CCOC(=O)c1nc(N2CCc3cccc(C(=O)N(COCC[Si](C)(C)C)c4nc5ccccc5s4)c3C2)sc1C#CCOc1cccc(-c2nn(C(=O)OC(C)(C)C)c(N)c2C#N)c1

HCID86761595

未命名化合物

PROCEDURE

实验过程

Compound 36C was prepared in a similar manner to the synthesis of compound 35A by substituting compound 34D and compound 31F with compound 36B and compound 36A, respectively as a mixture of two inseparable isomers: MS (ESI(+)): m/z 932 (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-50469a07296a4bea830e962e62de5720
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

[NH2:1][C:2]1[N:6]([C:7]([O:9][C:10]([CH3:13])([CH3:12])[CH3:11])=[O:8])[N:5]=[C:4]([C:14]2[CH:67]=[CH:66][C:17](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)=[CH:16][CH:15]=2)[C:3]=1[C:68]#[N:69].NC1N(C(OC(C)(C)C)=O)N=C(C2C=CC(O)=CC=2)C=1C#N.[S:92]1[C:96]2[CH:97]=[CH:98][CH:99]=[CH:100][C:95]=2[N:94]=[C:93]1[N:101]([CH2:128][O:129][CH2:130][CH2:131][Si:132]([CH3:135])([CH3:134])[CH3:133])[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]([C:124]#[C:125][CH2:126][OH:127])=[C:117]([C:119]([O:121][CH2:122][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>>[NH2:1][C:2]1[N:6]([C:7]([O:9][C:10]([CH3:13])([CH3:12])[CH3:11])=[O:8])[N:5]=[C:4]([C:14]2[CH:15]=[C:16]([CH:17]=[CH:66][CH:67]=2)[O:127][CH2:126][C:125]#[C:124][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)[CH2:128][O:129][CH2:130][CH2:131][Si:132]([CH3:135])([CH3:133])[CH3:134])[CH:105]=[CH:106][CH:107]=4)[CH2:112]3)=[N:118][C:117]=2[C:119]([O:121][CH2:122][CH3:123])=[O:120])[C:3]=1[C:68]#[N:69]