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-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethylamino)-5-oxopentyl)phenyl)penta-2,4-dienylidene)-3,3-dimethyl-1-(3-sulfonatopropyl)indoline-5-sulfonate → HCID 178422045, compound

HRID 1480518Notes

Reaction equation

ClC1C=C2C(C)(C)C(/C=C/C(/C3C=CC=C(CCCCC([NH:59][CH2:60][CH2:61][N:62]4[C:66](=[O:67])[CH:65]=[CH:64][C:63]4=[O:68])=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+:69].[Na+].[Cl:71][C:72]1[CH:73]=[C:74]2[C:88]([CH3:90])([CH3:89])/[C:87](=[CH:91]\[CH:92]=[C:93](/[C:127]3[CH:132]=[CH:131][CH:130]=[C:129]([CH2:133][CH2:134][CH2:135][CH2:136][C:137](ON4C(=O)CCC4=O)=[O:138])[CH:128]=3)\[CH:94]=[CH:95]\[C:96]3[C:104]([CH3:106])([CH3:105])[C:103]4[C:102]5[CH:107]=[C:108]([S:115]([O-:118])(=[O:117])=[O:116])[CH:109]=[C:110]([S:111]([O-:114])(=[O:113])=[O:112])[C:101]=5[CH:100]=[CH:99][C:98]=4[N+:97]=3[CH2:119][CH2:120][CH2:121][CH2:122][S:123]([O-:126])(=[O:125])=[O:124])/[N:86]=[C:75]2[N:76]([CH2:78][CH2:79][CH2:80][CH2:81][S:82]([O-:85])(=[O:84])=[O:83])[CH:77]=1.[Na+].[Na+].[Na+]>>[Cl:71][C:72]1[CH:73]=[C:74]2[C:88]([CH3:89])([CH3:90])/[C:87](=[CH:91]\[CH:92]=[C:93](/[C:127]3[CH:132]=[CH:131][CH:130]=[C:129]([CH2:133][CH2:134][CH2:135][CH2:136][C:137]([NH:59][CH2:60][CH2:61][N:62]4[C:66](=[O:67])[CH:65]=[CH:64][C:63]4=[O:68])=[O:138])[CH:128]=3)\[CH:94]=[CH:95]\[C:96]3[C:104]([CH3:105])([CH3:106])[C:103]4[C:102]5[CH:101]=[C:110]([S:111]([O-:114])(=[O:113])=[O:112])[CH:109]=[C:108]([S:115]([O-:118])(=[O:116])=[O:117])[C:107]=5[CH:100]=[CH:99][C:98]=4[N+:97]=3[CH2:119][CH2:120][CH2:121][CH2:122][S:123]([O-:126])(=[O:124])=[O:125])/[N:86]=[C:75]2[N:76]([CH2:78][CH2:79][CH2:80][CH2:81][S:82]([O-:85])(=[O:83])=[O:84])[CH:77]=1.[Na+:69].[Na+:69].[Na+:69]

Participants

Reactant 2

HCID 86699490Sodium (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-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethylamino)-5-oxopentyl)phenyl)penta-2,4-dienylidene)-3,3-dimethyl-1-(3-sulfonatopropyl)indoline-5-sulfonate

HCID 178422047HCID 178422047, compound

Product 1

HCID 178422045HCID 178422045, compound

Procedure

Compound 35 is prepared analogously to compound 34 (Example 45), except that compound 29 is used as a starting material.

Sources & evidence

ORD record: ord-b2d6e78d993d4ef296af09a706c570b7
Source dataset: uspto-grants-2016_08
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US09408924B2

Reaction notes

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