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Hydrochloric Acid → 1-(6-Amino-3,5-difluoro-2-pyridyl)-8-bromo-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-quinoline-3-carboxylic acid

HRID 2128981
Notes
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Reaction equation

HRID 2128981 reaction equation
[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:38][N:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[CH3:44][CH2:45][OH:46].[ClH:32].[NH2:6][c:7]1[c:8]([F:31])[cH:9][c:10]([F:30])[c:11](-[n:13]2[cH:14][c:15]([C:27](=[O:28])[OH:29])[c:16](=[O:26])[c:17]3[cH:18][c:19]([F:25])[c:20]([F:24])[c:21]([Br:23])[c:22]23)[n:12]1.[OH:33][CH:34]1[CH2:35][NH:36][CH2:37]1>>[NH2:6][c:7]1[c:8]([F:31])[cH:9][c:10]([F:30])[c:11](-[n:13]2[cH:14][c:15]([C:27](=[O:28])[OH:29])[c:16](=[O:26])[c:17]3[cH:18][c:19]([F:25])[c:20]([N:36]4[CH2:35][CH:34]([OH:33])[CH2:37]4)[c:21]([Br:23])[c:22]23)[n:12]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 6228DimethylformamideHCID 84541-MethylpyrrolidineHCID 15142903-HydroxyazetidineHCID 154869771-(6-Amino-3,5-difluoropyridin-2-yl)-8-bromo-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Product 1

HCID 510577
1-(6-Amino-3,5-difluoro-2-pyridyl)-8-bromo-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-quinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-36a501d77829475eb786b358105f97ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes