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Sodium (E)-2-((2Z,4E)-3-(3-(4-Carboxybutyl)phenyl)-5-(5-chloro-3,3-dimethyl-7-(3-sulfonatopropyl)-3H-pyrrolo[2,3-b]pyridin-7-ium-2-yl)penta-2,4-dienylidene)-3,3-dimethyl-1-(3-sulfonatopropyl)indoline-5-sulfonate → Sodium (E)-2-((2Z,4E)-5-(5-Chloro-3,3-dimethyl-7-(3-sulfonatopropyl)-3H-pyrrolo[2,3-b]pyridin-7-ium-2-yl)-3-(3-(5-(2,5-dioxopyrrolidin-1-yloxy)-5-oxopentyl)phenyl)penta-2,4-dienylidene)-3,3-dimethyl-1-(3-sulfonatopropyl)indoline-5-sulfonate

HRID 1480517
Notes
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Reaction equation

HRID 1480517 reaction equation
ClC1C=C2C(C)(C)/C(=C\C=C(/C3C=CC=C(CCCCC(O[N:70]4[C:74](=[O:75])[CH2:73][CH2:72][C:71]4=[O:76])=O)C=3)\C=C\C3C(C)(C)C4C5C=C(S([O-])(=O)=O)C=C(S([O-])(=O)=O)C=5C=CC=4[N+]=3CCCCS([O-])(=O)=O)/N=C2N(CCCCS([O-])(=O)=O)C=1.[Na+:77].[Na+].[Na+].[C:80]([CH2:83][CH2:84][CH2:85][CH2:86][C:87]1[CH:88]=[C:89](/[C:93](/[CH:118]=[CH:119]/[C:120]2[C:121]([CH3:138])([CH3:137])[C:122]3[C:123]([N:136]=2)=[N+:124]([CH2:129][CH2:130][CH2:131][S:132]([O-:135])(=[O:134])=[O:133])[CH:125]=[C:126]([Cl:128])[CH:127]=3)=[CH:94]\[CH:95]=[C:96]2\[N:97]([CH2:111][CH2:112][CH2:113][S:114]([O-:117])(=[O:116])=[O:115])[C:98]3[C:103]([C:104]\2([CH3:106])[CH3:105])=[CH:102][C:101]([S:107]([O-:110])(=[O:109])=[O:108])=[CH:100][CH:99]=3)[CH:90]=[CH:91][CH:92]=1)([OH:82])=[O:81].[Na+].[Na+]>>[Cl:128][C:126]1[CH:127]=[C:122]2[C:121]([CH3:138])([CH3:137])[C:120](/[CH:119]=[CH:118]/[C:93](/[C:89]3[CH:90]=[CH:91][CH:92]=[C:87]([CH2:86][CH2:85][CH2:84][CH2:83][C:80]([O:82][N:70]4[C:74](=[O:75])[CH2:73][CH2:72][C:71]4=[O:76])=[O:81])[CH:88]=3)=[CH:94]/[CH:95]=[C:96]3/[N:97]([CH2:111][CH2:112][CH2:113][S:114]([O-:117])(=[O:115])=[O:116])[C:98]4[C:103]([C:104]/3([CH3:105])[CH3:106])=[CH:102][C:101]([S:107]([O-:110])(=[O:108])=[O:109])=[CH:100][CH:99]=4)=[N:136][C:123]2=[N+:124]([CH2:129][CH2:130][CH2:131][S:132]([O-:135])(=[O:134])=[O:133])[CH:125]=1.[Na+:77].[Na+:77]
ParticipantsProcedureSources & evidenceReaction notes

Participants

3

Reactant 2

HCID 131736610Sodium (E)-2-((2Z,4E)-3-(3-(4-Carboxybutyl)phenyl)-5-(5-chloro-3,3-dimethyl-7-(3-sulfonatopropyl)-3H-pyrrolo[2,3-b]pyridin-7-ium-2-yl)penta-2,4-dienylidene)-3,3-dimethyl-1-(3-sulfonatopropyl)indoline-5-sulfonateHCID 178422047HCID 178422047, compound

Product 1

HCID 57329957
Sodium (E)-2-((2Z,4E)-5-(5-Chloro-3,3-dimethyl-7-(3-sulfonatopropyl)-3H-pyrrolo[2,3-b]pyridin-7-ium-2-yl)-3-(3-(5-(2,5-dioxopyrrolidin-1-yloxy)-5-oxopentyl)phenyl)penta-2,4-dienylidene)-3,3-dimethyl-1-(3-sulfonatopropyl)indoline-5-sulfonate

Procedure

Compound 33 is prepared analogously to compound 29 (Example 38), except that compound 32 is used as a starting material.

Sources & evidence

ORD record
ord-d8a1084b299c4d4189d5e59d7dafb407
Source dataset
uspto-grants-2016_08
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09408924B2

Reaction notes

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On this pageParticipantsProcedureSources & evidenceReaction notes