Sodium 2-((1E,3Z,5E)-5-(3,3-Dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indolin-2-ylidene)-3-(3-(5-(2,5-dioxopyrrolidin-1-yloxy)-5-oxopentyl)phenyl)penta-1,3-dienyl)-3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate → Sodium 2-((1E,3Z,5E)-5-(3,3-Dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indolin-2-ylidene)-3-(3-(5-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethylamino)-5-oxopentyl)phenyl)penta-1,3-dienyl)-3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate

HRID 449541Notes

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([CH3:161])[C:102]2[C:97](=[CH:98][CH:99]=[C:100]([S:103]([O-:106])(=[O:105])=[O:104])[CH:101]=2)[N:96]([CH2:107][CH2:108][CH2:109][S:110]([O-:113])(=[O:112])=[O:111])/[C:95]/1=[CH:114]/[CH:115]=[C:116](\[C:141]1[CH:146]=[CH:145][CH:144]=[C:143]([CH2:147][CH2:148][CH2:149][CH2:150][C:151](ON2C(=O)CCC2=O)=[O:152])[CH:142]=1)/[CH:117]=[CH:118]/[C:119]1[C:127]([CH3:129])([CH3:128])[C:126]2[C:121](=[CH:122][CH:123]=[C:124]([S:130]([O-:133])(=[O:132])=[O:131])[CH:125]=2)[N+:120]=1[CH2:134][CH2:135][CH2:136][S:137]([O-:140])(=[O:139])=[O:138].[Na+].[Na+].[Na+]>>[CH3:93][C:94]1([CH3:161])[C:102]2[C:97](=[CH:98][CH:99]=[C:100]([S:103]([O-:106])(=[O:105])=[O:104])[CH:101]=2)[N:96]([CH2:107][CH2:108][CH2:109][S:110]([O-:113])(=[O:112])=[O:111])/[C:95]/1=[CH:114]/[CH:115]=[C:116](\[C:141]1[CH:146]=[CH:145][CH:144]=[C:143]([CH2:147][CH2:148][CH2:149][CH2:150][C:151]([NH:77][CH2:78][CH2:79][N:80]2[C:84](=[O:85])[CH:83]=[CH:82][C:81]2=[O:86])=[O:152])[CH:142]=1)/[CH:117]=[CH:118]/[C:119]1[C:127]([CH3:129])([CH3:128])[C:126]2[C:121](=[CH:122][CH:123]=[C:124]([S:130]([O-:133])(=[O:132])=[O:131])[CH:125]=2)[N+:120]=1[CH2:134][CH2:135][CH2:136][S:137]([O-:140])(=[O:139])=[O:138].[Na+:88].[Na+:88].[Na+:88]

Participants

Reactant 2

HCID 49782694Sodium 2-((1E,3Z,5E)-5-(3,3-Dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indolin-2-ylidene)-3-(3-(5-(2,5-dioxopyrrolidin-1-yloxy)-5-oxopentyl)phenyl)penta-1,3-dienyl)-3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate

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 86649219Sodium 2-((1E,3Z,5E)-5-(3,3-Dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indolin-2-ylidene)-3-(3-(5-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethylamino)-5-oxopentyl)phenyl)penta-1,3-dienyl)-3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate

Procedure

Compound 23 is prepared analogously to compound 21 (Example 27), except that compound 15 is used as a starting material.

Sources & evidence

ORD record: ord-87361cbc96ed4f51b0261d085bc18238
Source dataset: uspto-grants-2013_07
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08481752B2

Reaction notes

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