Acetonitrile → Grepafloxacin

HRID 1151607Notes

Reaction equation

HRID 1151607 reaction equation
[CH3:21][CH:22]1[NH:23][CH2:24][CH2:25][NH:26][CH2:27]1.[CH3:28][C:29]#[N:30].[CH:1]1([n:4]2[cH:5][c:6]([C:18](=[O:19])[OH:20])[c:7](=[O:17])[c:8]3[c:9]([CH3:16])[c:10]([F:15])[c:11]([F:14])[cH:12][c:13]23)[CH2:2][CH2:3]1>>[CH:1]1([n:4]2[cH:5][c:6]([C:18](=[O:19])[OH:20])[c:7](=[O:17])[c:8]3[c:9]([CH3:16])[c:10]([F:15])[c:11]([N:26]4[CH2:25][CH2:24][NH:23][CH:22]([CH3:21])[CH2:27]4)[cH:12][c:13]23)[CH2:2][CH2:3]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 660572-MethylpiperazineHCID 146512541-Cyclopropyl-6,7-difluoro-5-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Product 1

HCID 72474Grepafloxacin

Sources & evidence

ORD record
ord-63a525f26307444d9442d7e515eccf02
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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