HRID1480524

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2733957

未命名化合物

结构：CC1(C)C(/C=C/C2=C(c3ccc(C(=O)O)cc3)C(=C/C=C3/N(CCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)/CCC2)=Nc2c1ccc[n+]2CCCS(=O)(=O)[O-].[Na+].[Na+]

HCID57329961

未命名化合物

结构：CC1(C)C2=CC(Cl)=CN(CCCCS(=O)(=O)[O-])C2=N/C1=C/C=C/C(Cl)=C/C=C/C1=[N+](CCCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)C.[Na+].[Na+]

HCID178422055

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C2=CC(Cl)=CN(CCCCS(=O)(=O)[O-])C2=N/C1=C/C=C/C(=C/C=C/C1=[N+](CCCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)C)c1cccc(C(=O)O)c1.[Na+].[Na+]

HCID178422054

未命名化合物

PROCEDURE

实验过程

Compound 43 is prepared analogously to compound 17 (Example 17), except with compound 42 and m-carboxyphenyl boronic acid as starting materials.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be11f7def8a34625a4c2edb538fa2792
来源数据集: uspto-grants-2016_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09408924B2
来源说明: uspto-grants-2016_08

反应 SMILES

C(C1C=CC(C2/C(=C/C=C3/N(CCCS([O-])(=O)=O)C4C(C/3(C)C)=CC(S([O-])(=O)=O)=CC=4)/CCCC=2C=CC2C(C)(C)C3C(N=2)=[N+](CCCS([O-])(=O)=O)C=CC=3)=CC=1)(O)=O.[Na+:60].[Na+].Cl/[C:63](/[CH:90]=[CH:91]/[CH:92]=[C:93]1\[C:94]([CH3:112])([CH3:111])[C:95]2[C:96](=[N:110]\1)[N:97]([CH2:102][CH2:103][CH2:104][CH2:105][S:106]([O-:109])(=[O:108])=[O:107])[CH:98]=[C:99]([Cl:101])[CH:100]=2)=[CH:64]\[CH:65]=[CH:66]\[C:67]1[C:75]([CH3:77])([CH3:76])[C:74]2[C:69](=[CH:70][CH:71]=[C:72]([S:78]([O-:81])(=[O:80])=[O:79])[CH:73]=2)[N+:68]=1[CH2:82][CH2:83][CH2:84][CH2:85][S:86]([O-:89])(=[O:88])=[O:87].[Na+].[Na+].[C:115]([C:118]1[CH:119]=[C:120](B(O)O)[CH:121]=[CH:122][CH:123]=1)([OH:117])=[O:116]>>[C:115]([C:118]1[CH:119]=[C:120](/[C:63](/[CH:90]=[CH:91]/[CH:92]=[C:93]2\[C:94]([CH3:112])([CH3:111])[C:95]3[C:96](=[N:110]\2)[N:97]([CH2:102][CH2:103][CH2:104][CH2:105][S:106]([O-:109])(=[O:108])=[O:107])[CH:98]=[C:99]([Cl:101])[CH:100]=3)=[CH:64]\[CH:65]=[CH:66]\[C:67]2[C:75]([CH3:77])([CH3:76])[C:74]3[C:69](=[CH:70][CH:71]=[C:72]([S:78]([O-:81])(=[O:79])=[O:80])[CH:73]=3)[N+:68]=2[CH2:82][CH2:83][CH2:84][CH2:85][S:86]([O-:89])(=[O:87])=[O:88])[CH:121]=[CH:122][CH:123]=1)([OH:117])=[O:116].[Na+:60].[Na+:60]