Sodium 2-((1E,3Z,5E)-5-(1,1-Dimethyl-6,8-disulfonato-3-(3-sulfonatopropyl)-1H-benzo[e]indol-2(3H)-ylidene)-3-(3-(5-(2,5-dioxopyrrolidin-1-yloxy)-5-oxopentyl)phenyl)penta-1,3-dienyl)-1,1-dimethyl-3-(3-sulfonatopropyl)-1H-benzo[e]indolium-6,8-disulfonate → Sodium 2-((1E,3Z,5E)-5-(3,3-Dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indolin-2-ylidene)-3-(2-(5-(2,5-dioxopyrrolidin-1-yloxy)-5-oxopentyl)phenyl)penta-1,3-dienyl)-3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate

HRID 449542Notes

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

Participants

Reactant 2

HCID 49782912Sodium 2-((1E,3Z,5E)-5-(1,1-Dimethyl-6,8-disulfonato-3-(3-sulfonatopropyl)-1H-benzo[e]indol-2(3H)-ylidene)-3-(3-(5-(2,5-dioxopyrrolidin-1-yloxy)-5-oxopentyl)phenyl)penta-1,3-dienyl)-1,1-dimethyl-3-(3-sulfonatopropyl)-1H-benzo[e]indolium-6,8-disulfonate

HCID 86649223Sodium 2-((1E,3Z,5E)-3-(2-(4-Carboxybutyl)phenyl)-5-(3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indolin-2-ylidene)penta-1,3-dienyl)-3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate

Product 1

HCID 86649221Sodium 2-((1E,3Z,5E)-5-(3,3-Dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indolin-2-ylidene)-3-(2-(5-(2,5-dioxopyrrolidin-1-yloxy)-5-oxopentyl)phenyl)penta-1,3-dienyl)-3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate

Procedure

Compound 34 is prepared analogously to compound 9 (Example 9), except that compound 33 is used as a starting material.

Sources & evidence

ORD record: ord-8df2c44b36b24cc2a1fad4a8feae0a8b
Source dataset: uspto-grants-2013_07
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08481752B2

Reaction notes

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