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-(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

HRID 449537Notes

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][C:96]1[CH:97]=[C:98](/[C:102](=[CH:136]\[CH:137]=[C:138]2\[N:139]([CH2:161][CH2:162][CH2:163][CH2:164][S:165]([O-:168])(=[O:167])=[O:166])[C:140]3[CH:141]=[CH:142][C:143]4[C:152]([S:153]([O-:156])(=[O:155])=[O:154])=[CH:151][C:150]([S:157]([O-:160])(=[O:159])=[O:158])=[CH:149][C:144]=4[C:145]=3[C:146]\2([CH3:148])[CH3:147])/[CH:103]=[CH:104]/[C:105]2[C:113]([CH3:115])([CH3:114])[C:112]3[C:111]4[CH:116]=[C:117]([S:124]([O-:127])(=[O:126])=[O:125])[CH:118]=[C:119]([S:120]([O-:123])(=[O:122])=[O:121])[C:110]=4[CH:109]=[CH:108][C:107]=3[N+:106]=2[CH2:128][CH2:129][CH2:130][CH2:131][S:132]([O-:135])(=[O:134])=[O:133])[CH:99]=[CH:100][CH:101]=1)([OH:93])=[O:92].[Na+].[Na+].[Na+].[Na+].[Na+]>>[CH3:114][C:113]1([CH3:115])[C:112]2[C:111]3[CH:116]=[C:117]([S:124]([O-:127])(=[O:125])=[O:126])[CH:118]=[C:119]([S:120]([O-:123])(=[O:121])=[O:122])[C:110]=3[CH:109]=[CH:108][C:107]=2[N:106]([CH2:128][CH2:129][CH2:130][CH2:131][S:132]([O-:135])(=[O:134])=[O:133])/[C:105]/1=[CH:104]/[CH:103]=[C:102](\[C:98]1[CH:99]=[CH:100][CH:101]=[C: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:97]=1)/[CH:136]=[CH:137]/[C:138]1[C:146]([CH3:148])([CH3:147])[C:145]2[C:144]3[CH:149]=[C:150]([S:157]([O-:160])(=[O:158])=[O:159])[CH:151]=[C:152]([S:153]([O-:156])(=[O:154])=[O:155])[C:143]=3[CH:142]=[CH:141][C:140]=2[N+:139]=1[CH2:161][CH2:162][CH2:163][CH2:164][S:165]([O-:168])(=[O:167])=[O:166].[Na+:86].[Na+:86].[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 86649209Sodium 2-((1E,3Z,5E)-3-(3-(2-Carboxyethyl)phenyl)-5-(1,1-dimethyl-6,8-disulfonato-3-(4-sulfonatobutyl)-1H-benzo[e]indol-2(3H)-ylidene)penta-1,3-dienyl)-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-6,8-disulfonate

Product 1

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

Procedure

Compound 11 was prepared analogously to compound 9 (Example 9), except that compound 10 was used as a starting material.

Sources & evidence

ORD record: ord-99db8bc775ef44b3a2e6e7785929ce93
Source dataset: uspto-grants-2013_07
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08481752B2

Reaction notes

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