HCID 86699468, compound → Sodium 2-((1E,3Z,5E)-3-Bromo-5-(1,1-dimethyl-6,8-disulfonato-3-(3-sulfonatobutyl)-1H-benzo[e]indol-2(3H)-ylidene)penta-1,3-dienyl)-1,1-dimethyl-3-(3-sulfonatobutyl)-1H-benzo[e]indolium-6,8-disulfonate
Reaction equation
[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]Participants
3
Reactant 2
Product 1
Procedure
Compound 27 is prepared analogously to compound 9 (Example 9), except that compounds 24 and 26 is used as a starting material.
Sources & evidence
- ORD record
- ord-6900aa565c584b719dc8abbcbb555a36
- Source dataset
- uspto-grants-2015_01
- Patent number
- US08927719B2
Reaction notes
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