Sodium ion → 1-Cyclopropyl-7-(4-hydroxy-1-piperidyl)-6-fluoro-8-methyl-1,4dihydro-4-oxoquinoline-3-carboxylic acid

HRID 89560Notes

Reaction equation

HRID 89560 reaction equation
[B+3:28].[CH:1]1([n:4]2[cH:5][c:6]([C:24](=[O:25])[OH:26])[c:7](=[O:23])[c:8]3[cH:9][c:10]([F:22])[c:11]([N:15]4[CH2:16][CH2:17][C:18](=[O:21])[CH2:19][CH2:20]4)[c:12]([CH3:14])[c:13]23)[CH2:2][CH2:3]1.[Na+:29].[Na+:40].[OH-:27].[OH-:30].[OH-:31].[OH-:32].[OH-:39].[OH2:33].[S:34](=[O:35])(=[O:36])([OH:37])[OH:38]>>[CH:1]1([n:4]2[cH:5][c:6]([C:24](=[O:25])[OH:26])[c:7](=[O:23])[c:8]3[cH:9][c:10]([F:22])[c:11]([N:15]4[CH2:16][CH2:17][CH:18]([OH:21])[CH2:19][CH2:20]4)[c:12]([CH3:14])[c:13]23)[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 961Hydroxide5×HCID 962WaterHCID 1118Sulfuric AcidHCID 15622512HCID 15622512, compoundHCID 178419131boron(3+)

Product 1

HCID 101331361-Cyclopropyl-7-(4-hydroxy-1-piperidyl)-6-fluoro-8-methyl-1,4dihydro-4-oxoquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-089079e9841548bfa5894594bba3b0cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…