Hydrochloric Acid → 1-Ethyl-6,8-difluoro-1,4-dihydro-7-(8-methyl-3,8-diazabicyclo[3.2.1]oct-2-yl)-4-oxo-3-quinolinecarboxylic acid

HRID 1212356Notes

Reaction equation

HRID 1212356 reaction equation
[CH2:1]([CH3:2])[n:3]1[cH:4][c:5]([C:17](=[O:18])[OH:19])[c:6](=[O:16])[c:7]2[cH:8][c:9]([F:15])[c:10]([F:14])[c:11]([F:13])[c:12]12.[CH3:22][N:23]1[CH:24]2[CH2:25][NH:26][CH2:27][CH:28]1[CH2:29][CH2:30]2.[CH3:31][C:32]#[N:33].[ClH:20].[ClH:21]>>[CH2:1]([CH3:2])[n:3]1[cH:4][c:5]([C:17](=[O:18])[OH:19])[c:6](=[O:16])[c:7]2[cH:8][c:9]([F:15])[c:10]([CH:25]3[CH:24]4[N:23]([CH3:22])[CH:28]([CH2:27][NH:26]3)[CH2:29][CH2:30]4)[c:11]([F:13])[c:12]12

Participants

5

Reactant 4

HCID 313Hydrochloric Acid2×HCID 6342AcetonitrileHCID 4229248-Methyl-3,8-diazabicyclo[3.2.1]octaneHCID 98351791-Ethyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Product 1

HCID 135658271-Ethyl-6,8-difluoro-1,4-dihydro-7-(8-methyl-3,8-diazabicyclo[3.2.1]oct-2-yl)-4-oxo-3-quinolinecarboxylic acid

Sources & evidence

ORD record
ord-fc0b28ec496d4396bb7cd40440f6a0c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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