Acetic Acid → Vebufloxacin

HRID 1136070Notes

Reaction equation

HRID 1136070 reaction equation
[CH3:21][N:22]1[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]1.[CH3:28][N:29]([CH3:30])[P:31](=[O:32])([N:33]([CH3:34])[CH3:35])[N:36]([CH3:37])[CH3:38].[CH3:40][C:41](=[O:42])[OH:43].[F:1][c:2]1[c:3]([Cl:20])[c:4]2[c:13]3[n:8]([cH:9][c:10]([C:16](=[O:17])[OH:18])[c:11](=[O:15])[c:12]3[cH:14]1)[CH:7]([CH3:19])[CH2:6][CH2:5]2.[OH2:39]>>[F:1][c:2]1[c:3]([N:25]2[CH2:24][CH2:23][N:22]([CH3:21])[CH2:27][CH2:26]2)[c:4]2[c:13]3[n:8]([cH:9][c:10]([C:16](=[O:17])[OH:18])[c:11](=[O:15])[c:12]3[cH:14]1)[CH:7]([CH3:19])[CH2:6][CH2:5]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 12679HexamethylphosphoramideHCID 531671-MethylpiperazineHCID 134729989-fluoro-8-chloro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid

Product 1

HCID 71235Vebufloxacin

Sources & evidence

ORD record
ord-0360cba334974fa99c2c989dc895f402
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…