Sodium 2-((1E,3Z,5E)-5-(1,1-Dimethyl-6,8-disulfonato-3-(4-sulfonatobutyl)-1H-benzo[e]indol-2(3H)-ylidene)-3-(3-(3-(2,5-dioxopyrrolidin-1-yloxy)-3-oxopropyl)phenyl)penta-1,3-dienyl)-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-6,8-disulfonate → Sodium 2-((1E,3Z,5E)-5-(1,1-Dimethyl-6,8-disulfonato-3-(4-sulfonatobutyl)-1H-benzo[e]indol-2(3H)-ylidene)-3-(3-(3-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethylamino)-3-oxopropyl)phenyl)penta-1,3-dienyl)-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-6,8-disulfonate

HRID 449540Notes

Reaction equation

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([NH:77][CH2:78][CH2:79][N:80]2[C:84](=[O:85])[CH2:83][CH2:82][C:81]2=[O:86])=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+:88].[Na+].[Na+].[Na+].[Na+].[CH3:93][C:94]1([CH3:177])[C:102]2[C:101]3[CH:103]=[C:104]([S:111]([O-:114])(=[O:113])=[O:112])[CH:105]=[C:106](S([O-])(=O)=O)[C:100]=3[CH:99]=[CH:98][C:97]=2[N:96]([CH2:115][CH2:116][CH2:117][CH2:118][S:119]([O-:122])(=[O:121])=[O:120])/[C:95]/1=[CH:123]/[CH:124]=[C:125](\[C:159]1[CH:164]=[CH:163][CH:162]=[C:161]([CH2:165][CH2:166][C:167](ON2C(=O)CCC2=O)=[O:168])[CH:160]=1)/[CH:126]=[CH:127]/[C:128]1[C:136]([CH3:138])([CH3:137])[C:135]2[C:134]3[CH:139]=[C:140](S([O-])(=O)=O)[CH:141]=[C:142]([S:143]([O-:146])(=[O:145])=[O:144])[C:133]=3[CH:132]=[CH:131][C:130]=2[N+:129]=1[CH2:151][CH2:152][CH2:153][CH2:154][S:155]([O-:158])(=[O:157])=[O:156].[Na+].[Na+].[Na+].[Na+].[Na+]>>[CH3:137][C:136]1([CH3:138])[C:135]2[C:134]3[CH:139]=[C:140]([S:111]([O-:114])(=[O:113])=[O:112])[CH:141]=[C:142]([S:143]([O-:146])(=[O:144])=[O:145])[C:133]=3[CH:132]=[CH:131][C:130]=2[N:129]([CH2:151][CH2:152][CH2:153][CH2:154][S:155]([O-:158])(=[O:156])=[O:157])/[C:128]/1=[CH:127]/[CH:126]=[C:125](\[C:159]1[CH:164]=[CH:163][CH:162]=[C:161]([CH2:165][CH2:166][C:167]([NH:77][CH2:78][CH2:79][N:80]2[C:84](=[O:85])[CH:83]=[CH:82][C:81]2=[O:86])=[O:168])[CH:160]=1)/[CH:124]=[CH:123]/[C:95]1[C:94]([CH3:93])([CH3:177])[C:102]2[C:101]3[CH:103]=[C:104]([S:111]([O-:114])(=[O:113])=[O:112])[CH:105]=[C:106]([S:119]([O-:122])(=[O:121])=[O:120])[C:100]=3[CH:99]=[CH:98][C:97]=2[N+:96]=1[CH2:115][CH2:116][CH2:117][CH2:118][S:119]([O-:122])(=[O:120])=[O:121].[Na+:88].[Na+:88].[Na+:88].[Na+:88].[Na+:88]

Participants

Reactant 2

HCID 86649211Sodium 2-((1E,3Z,5E)-5-(1,1-Dimethyl-6,8-disulfonato-3-(4-sulfonatobutyl)-1H-benzo[e]indol-2(3H)-ylidene)-3-(3-(3-(2,5-dioxopyrrolidin-1-yloxy)-3-oxopropyl)phenyl)penta-1,3-dienyl)-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-6,8-disulfonate

HCID 86649217Sodium 2-((1E,3Z,5E)-5-(1,1-Dimethyl-6,8-disulfonato-3-(3-sulfonatopropyl)-1H-benzo[e]indol-2(3H)-ylidene)-3-(3-(5-(2-(2,5-dioxo-2,5-dihydro4H-pyrrol-1-yl)ethylamino)-5-oxopentyl)phenyl)penta-1,3-dienyl)-1,1-dimethyl-3-(3-sulfonatopropyl)-1H-benzo[e]indolium-6,8-disulfonate

Product 1

HCID 86649215Sodium 2-((1E,3Z,5E)-5-(1,1-Dimethyl-6,8-disulfonato-3-(4-sulfonatobutyl)-1H-benzo[e]indol-2(3H)-ylidene)-3-(3-(3-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethylamino)-3-oxopropyl)phenyl)penta-1,3-dienyl)-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-6,8-disulfonate

Procedure

Compound 22 is prepared analogously to compound 21 (Example 27), except that compound 11 is used as a starting material.

Sources & evidence

ORD record: ord-d989f9e5ce3a4ccea5a507ed0a15ee3a
Source dataset: uspto-grants-2013_07
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08481752B2

Reaction notes

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