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

HRID 1151597Notes

Reaction equation

HRID 1151597 reaction equation
[CH2:34]([CH3:35])[NH:36][CH:37]1[CH2:38][NH:39][CH2:40]1.[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:41][N:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[CH3:47][CH2:48][OH:49].[ClH:32].[ClH:33].[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:39]4[CH2:38][CH:37]([NH:36][CH2:34][CH3:35])[CH2:40]4)[c:21]([Cl:23])[c:22]23)[n:12]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 702EthanolHCID 6228DimethylformamideHCID 84541-MethylpyrrolidineHCID 10336591N-ethylazetidin-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 121350317-[3-(Ethylamino)azetidin-1-yl]-1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-dd6378d3d0bb4b5ea1a20de09589b3a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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