Hydrochloric Acid → 7-(2,5-Diazabicyclo[2.2.2]oct-2-yl)-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid

HRID 307013

Reaction equation

HRID 307013 reaction equation
[CH3:29][C:30]#[N:31].[CH:21]12[NH:22][CH2:23][CH:24]([NH:25][CH2:26]1)[CH2:27][CH2:28]2.[Cl:1][c:2]1[c:3]([F:18])[cH:4][c:5]2[c:6](=[O:17])[c:7]([C:14](=[O:15])[OH:16])[cH:8][n:9]([CH2:12][CH3:13])[c:10]2[n:11]1.[ClH:19].[ClH:20]>>[c:2]1([N:22]2[CH:21]3[CH2:26][NH:25][CH:24]([CH2:23]2)[CH2:27][CH2:28]3)[c:3]([F:18])[cH:4][c:5]2[c:6](=[O:17])[c:7]([C:14](=[O:15])[OH:16])[cH:8][n:9]([CH2:12][CH3:13])[c:10]2[n:11]1

Participants

5

Reactant 4

HCID 313Hydrochloric Acid2×HCID 6342AcetonitrileHCID 4233472,5-Diazabicyclo(2.2.2)octaneHCID 127908597-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

Product 1

HCID 135657977-(2,5-Diazabicyclo[2.2.2]oct-2-yl)-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid

Sources & evidence

ORD record
ord-f1d5f819d30642678937c7548ffd1b51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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