Chloride → 7-(3-Aminoazetidin-1-yl)-1-(5-amino-2,4-difluorophenyl)-6-fluoro-5,8-dimethyl-4-oxoquinoline-3-carboxylic acid

HRID 139823Notes

Reaction equation

HRID 139823 reaction equation
[Cl-:28].[Cl-:29].[NH2:1][c:2]1[cH:3][c:4](-[n:10]2[cH:11][c:12]([C:25](=[O:26])[OH:27])[c:13](=[O:24])[c:14]3[c:15]([CH3:23])[c:16]([F:22])[c:17]([F:21])[c:18]([CH3:20])[c:19]23)[c:5]([F:9])[cH:6][c:7]1[F:8].[NH2:30][CH:31]1[CH2:32][NH:33][CH2:34]1.[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[NH2:1][c:2]1[cH:3][c:4](-[n:10]2[cH:11][c:12]([C:25](=[O:26])[OH:27])[c:13](=[O:24])[c:14]3[c:15]([CH3:23])[c:16]([F:22])[c:17]([N:33]4[CH2:32][CH:31]([NH2:30])[CH2:34]4)[c:18]([CH3:20])[c:19]23)[c:5]([F:9])[cH:6][c:7]1[F:8]

Participants

5

Reactant 4

HCID 312Chloride2×HCID 1049PyridineHCID 1516506Azetidin-3-amineHCID 155184811-(3-amino-4,6-difluorophenyl)-6,7-difluoro-5,8-dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid

Product 1

HCID 155184827-(3-Aminoazetidin-1-yl)-1-(5-amino-2,4-difluorophenyl)-6-fluoro-5,8-dimethyl-4-oxoquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-5fae7a451c494b1f8399ca16ecb0cee0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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