Ammonium → Diethyl[[7-(cyclohexylamino)-1-(1-ethylpropyl)-6-fluoro-4-oxo-1,4-dihydroquinolin-3-yl](hydroxy)methyl]phosphonate

HRID 199978Notes

Reaction equation

HRID 199978 reaction equation
[CH:1]1([NH:7][c:8]2[c:9]([F:26])[cH:10][c:11]3[c:12](=[O:25])[c:13]([CH:23]=[O:24])[cH:14][n:15]([CH:18]([CH2:19][CH3:20])[CH2:21][CH3:22])[c:16]3[cH:17]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl-:35].[Cl:37][CH2:38][Cl:39].[NH4+:36].[P:27]([O:28][CH2:29][CH3:30])([O:31][CH2:32][CH3:33])[O-:34]>>[CH:1]1([NH:7][c:8]2[c:9]([F:26])[cH:10][c:11]3[c:12](=[O:25])[c:13]([CH:23]([OH:24])[P:27]([O:28][CH2:29][CH3:30])([O:31][CH2:32][CH3:33])=[O:34])[cH:14][n:15]([CH:18]([CH2:19][CH3:20])[CH2:21][CH3:22])[c:16]3[cH:17]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 223AmmoniumHCID 312ChlorideHCID 6344DichloromethaneHCID 3780918DiethylphosphiteHCID 86633064HCID 86633064, compound

Product 1

HCID 86633063Diethyl[[7-(cyclohexylamino)-1-(1-ethylpropyl)-6-fluoro-4-oxo-1,4-dihydroquinolin-3-yl](hydroxy)methyl]phosphonate

Sources & evidence

ORD record
ord-4f5e9305fcdb462baf4e3cf2fd09a7da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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