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-(3-(2,5-dioxopyrrolidin-1-yloxy)-3-oxopropyl)phenyl)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-(4-(3-(2,5-dioxopyrrolidin-1-yloxy)-3-oxopropyl)phenyl)penta-2,4-dienylidene)-3,3-dimethyl-1-(3-sulfonatopropyl)indoline-5-sulfonate

HRID 1480508Notes

Reaction equation

ClC1C=C2C(C)(C)C(/C=C/C(/C3C=CC=C(CCC(O[N:58]4[C:62](=[O:63])[CH2:61][CH2:60][C:59]4=[O:64])=O)C=3)=C/C=C3/N(CCCS([O-])(=O)=O)C4C(C/3(C)C)=CC(S([O-])(=O)=O)=CC=4)=NC2=[N+](CCCS([O-])(=O)=O)C=1.[Na+:65].[Na+].[C:67]([CH2:70][CH2:71][C:72]1[CH:77]=[CH:76][C:75](/[C:78](/[CH:103]=[CH:104]/[C:105]2[C:106]([CH3:123])([CH3:122])[C:107]3[C:108]([N:121]=2)=[N+:109]([CH2:114][CH2:115][CH2:116][S:117]([O-:120])(=[O:119])=[O:118])[CH:110]=[C:111]([Cl:113])[CH:112]=3)=[CH:79]\[CH:80]=[C:81]2\[N:82]([CH2:96][CH2:97][CH2:98][S:99]([O-:102])(=[O:101])=[O:100])[C:83]3[C:88]([C:89]\2([CH3:91])[CH3:90])=[CH:87][C:86]([S:92]([O-:95])(=[O:94])=[O:93])=[CH:85][CH:84]=3)=[CH:74][CH:73]=1)([OH:69])=[O:68].[Na+].[Na+]>>[Cl:113][C:111]1[CH:112]=[C:107]2[C:106]([CH3:123])([CH3:122])[C:105](/[CH:104]=[CH:103]/[C:78](/[C:75]3[CH:74]=[CH:73][C:72]([CH2:71][CH2:70][C:67]([O:69][N:58]4[C:62](=[O:63])[CH2:61][CH2:60][C:59]4=[O:64])=[O:68])=[CH:77][CH:76]=3)=[CH:79]/[CH:80]=[C:81]3/[N:82]([CH2:96][CH2:97][CH2:98][S:99]([O-:102])(=[O:101])=[O:100])[C:83]4[C:88]([C:89]/3([CH3:90])[CH3:91])=[CH:87][C:86]([S:92]([O-:95])(=[O:93])=[O:94])=[CH:85][CH:84]=4)=[N:121][C:108]2=[N+:109]([CH2:114][CH2:115][CH2:116][S:117]([O-:120])(=[O:118])=[O:119])[CH:110]=1.[Na+:65].[Na+:65]

Participants

Reactant 2

HCID 57329547Sodium (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-(3-(2,5-dioxopyrrolidin-1-yloxy)-3-oxopropyl)phenyl)penta-2,4-dienylidene)-3,3-dimethyl-1-(3-sulfonatopropyl)indoline-5-sulfonate

HCID 57329549Sodium (E)-2-((2Z,4E)-3-(4-(2-Carboxyethyl)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

Product 1

HCID 57329551Sodium (E)-2-((2Z,4E)-5-(5-chloro-3,3-dimethyl-7-(3-sulfonatopropyl)-3H-pyrrolo[2,3-b]pyridin-7-ium-2-yl)-3-(4-(3-(2,5-dioxopyrrolidin-1-yloxy)-3-oxopropyl)phenyl)penta-2,4-dienylidene)-3,3-dimethyl-1-(3-sulfonatopropyl)indoline-5-sulfonate

Procedure

Compound 13 is prepared analogously to compound 11 (Example 11), except that compound 12 is used as a starting material.

Sources & evidence

ORD record: ord-4681aa174d7345c9991f89ae560ef184
Source dataset: uspto-grants-2016_08
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US09408924B2

Reaction notes

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