HRID1425474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC1(C)C(/C=C/C(Br)=C/C=C2/N(CCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=Nc2c1cc(Cl)c[n+]2CCCS(=O)(=O)[O-].[Na+].[Na+]

HCID86699468

未命名化合物

结构：CC1=[N+](CCC(C)S(=O)(=O)[O-])c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3c2C1(C)C.[Na+].[Na+]

HCID86699478

未命名化合物

PRODUCTS

生成物

结构：CC(CCN1/C(=C/C=C(Br)/C=C/C2=[N+](CCC(C)S(=O)(=O)[O-])c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc4c3C2(C)C)C(C)(C)c2c1ccc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc21)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

HCID86699476

未命名化合物

PROCEDURE

实验过程

Compound 27 is prepared analogously to compound 9 (Example 9), except that compounds 24 and 26 is used as a starting material.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6900aa565c584b719dc8abbcbb555a36
来源数据集: uspto-grants-2015_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08927719B2
来源说明: uspto-grants-2015_01

反应 SMILES

[Br:1]/[C:2](/[CH:27]=C/C1C(C)(C)C2C(N=1)=[N+](CCCS([O-])(=O)=O)C=C(Cl)C=2)=[CH:3]\[CH:4]=[C:5]1\[N:6]([CH2:20][CH2:21]CS([O-])(=O)=O)[C:7]2[C:12]([C:13]\1([CH3:15])[CH3:14])=[CH:11][C:10](S([O-])(=O)=O)=[CH:9][CH:8]=2.[Na+:48].[Na+].[CH3:50][C:51]1([CH3:81])[C:59]2[C:58]3[CH:60]=[C:61]([S:68]([O-:71])(=[O:70])=[O:69])[CH:62]=[C:63]([S:64]([O-:67])(=[O:66])=[O:65])[C:57]=3[CH:56]=[CH:55][C:54]=2[N+:53]([CH2:72][CH2:73][CH:74]([S:76]([O-:79])(=[O:78])=[O:77])[CH3:75])=[C:52]1[CH3:80].[Na+].[Na+]>>[Br:1]/[C:2](=[CH:3]\[CH:4]=[C:5]1\[N:6]([CH2:20][CH2:21][CH:74]([S:76]([O-:79])(=[O:77])=[O:78])[CH3:73])[C:7]2[CH:8]=[CH:9][C:10]3[C:61]([S:68]([O-:71])(=[O:70])=[O:69])=[CH:62][C:63]([S:64]([O-:67])(=[O:65])=[O:66])=[CH:57][C:11]=3[C:12]=2[C:13]\1([CH3:14])[CH3:15])/[CH:27]=[CH:80]/[C:52]1[C:51]([CH3:50])([CH3:81])[C:59]2[C:58]3[CH:60]=[C:61]([S:68]([O-:71])(=[O:69])=[O:70])[CH:62]=[C:63]([S:64]([O-:67])(=[O:65])=[O:66])[C:57]=3[CH:56]=[CH:55][C:54]=2[N+:53]=1[CH2:72][CH2:73][CH:74]([S:76]([O-:79])(=[O:77])=[O:78])[CH3:75].[Na+:48].[Na+:48].[Na+:48].[Na+:48].[Na+:48]