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

HRID 1223833Notes

Reaction equation

HRID 1223833 reaction equation
[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:40][N:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[CH3:46][CH2:47][OH:48].[ClH:32].[ClH:33].[NH2:34][C:35]1([CH3:39])[CH2:36][NH:37][CH2:38]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]([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]([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:37]4[CH2:36][C:35]([NH2:34])([CH3:39])[CH2:38]4)[c:21]([Cl:23])[c:22]23)[n:12]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 702EthanolHCID 6228DimethylformamideHCID 84541-MethylpyrrolidineHCID 103292483-Methylazetidin-3-amineHCID 154349011-(6-Amino-3,5-difluoro-2-pyridinyl)-8-chloro-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

Product 1

HCID 154869781-(6-Amino-3,5-difluoropyridin-2-yl)-7-(3-amino-3-methylazetidin-1-yl)-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-24029d79e5de42bea1275b9a0bbbb1bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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