HRID449539

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC1(C)C(/C=C/C(=C/C=C2/N(CCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)c2cccc(CCCCC(=O)O)c2)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc21.[Na+].[Na+].[Na+]

HCID49782696

未命名化合物

结构：CC1(C)C(/C=C/C(=C/C=C2/N(CCCS(=O)(=O)[O-])c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc4c3C2(C)C)c2cccc(CCCCC(=O)ON3C(=O)CCC3=O)c2)=[N+](CCCS(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3c21.[Na+].[Na+].[Na+].[Na+].[Na+]

HCID49782912

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(/C=C/C(=C/C=C2/N(CCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)c2cccc(CCCCC(=O)ON3C(=O)CCC3=O)c2)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc21.[Na+].[Na+].[Na+]

HCID49782694

未命名化合物

PROCEDURE

实验过程

Compound 15 was prepared analogously to compound 9 (Example 9), except that compound 14 is used as a starting material.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8538e352654a49218087ada5d58665b0
来源数据集: uspto-grants-2013_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08481752B2
来源说明: uspto-grants-2013_07

反应 SMILES

CC1(C)C2C3C=C(S([O-])(=O)=O)C=C(S([O-])(=O)=O)C=3C=CC=2N(CCCS([O-])(=O)=O)/C/1=C/C=C(\C1C=CC=C(CCCCC(O[N:78]2[C:82](=[O:83])[CH2:81][CH2:80][C:79]2=[O:84])=O)C=1)/C=C/C1C(C)(C)C2C3C=C(S([O-])(=O)=O)C=C(S([O-])(=O)=O)C=3C=CC=2[N+]=1CCCS([O-])(=O)=O.[Na+:86].[Na+].[Na+].[Na+].[Na+].[C:91]([CH2:94][CH2:95][CH2:96][CH2:97][C:98]1[CH:99]=[C:100](/[C:104](=[CH:129]\[CH:130]=[C:131]2\[N:132]([CH2:146][CH2:147][CH2:148][S:149]([O-:152])(=[O:151])=[O:150])[C:133]3[C:138]([C:139]\2([CH3:141])[CH3:140])=[CH:137][C:136]([S:142]([O-:145])(=[O:144])=[O:143])=[CH:135][CH:134]=3)/[CH:105]=[CH:106]/[C:107]2[C:115]([CH3:117])([CH3:116])[C:114]3[C:109](=[CH:110][CH:111]=[C:112]([S:118]([O-:121])(=[O:120])=[O:119])[CH:113]=3)[N+:108]=2[CH2:122][CH2:123][CH2:124][S:125]([O-:128])(=[O:127])=[O:126])[CH:101]=[CH:102][CH:103]=1)([OH:93])=[O:92].[Na+].[Na+].[Na+]>>[CH3:117][C:115]1([CH3:116])[C:114]2[C:109](=[CH:110][CH:111]=[C:112]([S:118]([O-:121])(=[O:119])=[O:120])[CH:113]=2)[N:108]([CH2:122][CH2:123][CH2:124][S:125]([O-:128])(=[O:127])=[O:126])/[C:107]/1=[CH:106]/[CH:105]=[C:104](\[C:100]1[CH:101]=[CH:102][CH:103]=[C:98]([CH2:97][CH2:96][CH2:95][CH2:94][C:91]([O:93][N:78]2[C:82](=[O:83])[CH2:81][CH2:80][C:79]2=[O:84])=[O:92])[CH:99]=1)/[CH:129]=[CH:130]/[C:131]1[C:139]([CH3:140])([CH3:141])[C:138]2[C:133](=[CH:134][CH:135]=[C:136]([S:142]([O-:145])(=[O:144])=[O:143])[CH:137]=2)[N+:132]=1[CH2:146][CH2:147][CH2:148][S:149]([O-:152])(=[O:151])=[O:150].[Na+:86].[Na+:86].[Na+:86]