Dimethyl Sulfoxide → Gatifloxacin

HRID 671174Notes

Reaction equation

HRID 671174 reaction equation
[CH3:1][S:2]([CH3:3])=[O:4].[CH3:5][CH:6]1[NH:7][CH2:8][CH2:9][NH:10][CH2:11]1.[CH:12]1([n:15]2[cH:16][c:17]([C:30](=[O:31])[OH:32])[c:18](=[O:29])[c:19]3[cH:20][c:21]([F:28])[c:22]([F:27])[c:23]([O:25][CH3:26])[c:24]23)[CH2:13][CH2:14]1.[OH2:33]>>[CH3:5][CH:6]1[NH:7][CH2:8][CH2:9][N:10]([c:22]2[c:21]([F:28])[cH:20][c:19]3[c:18](=[O:29])[c:17]([C:30](=[O:31])[OH:32])[cH:16][n:15]([CH:12]4[CH2:13][CH2:14]4)[c:24]3[c:23]2[O:25][CH3:26])[CH2:11]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 660572-MethylpiperazineHCID 70194651-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

Product 1

HCID 5379Gatifloxacin

Sources & evidence

ORD record
ord-546a0193d5a1423d8b342f28ca4b8222
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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