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Hydrochloric Acid → 7-(3-Aminoazetidine-1-yl)-1-(6-amino-3-chloro-5-fluoropyridine-2-yl)-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

HRID 194933
Notes
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Reaction equation

HRID 194933 reaction equation
[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:39][N:40]1[CH2:41][CH2:42][CH2:43][C:44]1=[O:45].[CH3:46][CH2:47][OH:48].[ClH:32].[ClH:33].[NH2:34][CH:35]1[CH2:36][NH:37][CH2:38]1.[NH2:6][c:7]1[c:8]([F:31])[cH:9][c:10]([Cl: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]([Cl:23])[c:22]23)[n:12]1>>[NH2:6][c:7]1[c:8]([F:31])[cH:9][c:10]([Cl: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:37]4[CH2:36][CH:35]([NH2:34])[CH2:38]4)[c:21]([Cl:23])[c:22]23)[n:12]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 702EthanolHCID 6228DimethylformamideHCID 13387N-methyl-2-pyrrolidoneHCID 1516506Azetidin-3-amineHCID 221211791-(6-Amino-3-chloro-5-fluoropyridin-2-yl)-8-chloro-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Product 1

HCID 221212777-(3-Aminoazetidine-1-yl)-1-(6-amino-3-chloro-5-fluoropyridine-2-yl)-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-2208436519124fe58949f6c3b3788d54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes