Acetonitrile → 7-[3-(Aminomethyl)-3-methyl-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid

HRID 152899Notes

Reaction equation

HRID 152899 reaction equation
[CH3:22][C:23]1([CH2:28][NH2:29])[CH2:24][NH:25][CH2:26][CH2:27]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][C:38]#[N:39].[CH:1]1([n:4]2[cH:5][c:6]([C:19](=[O:20])[OH:21])[c:7](=[O:18])[c:8]3[c:9]([CH3:17])[c:10]([F:16])[c:11]([F:15])[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1>>[CH:1]1([n:4]2[cH:5][c:6]([C:19](=[O:20])[OH:21])[c:7](=[O:18])[c:8]3[c:9]([CH3:17])[c:10]([F:16])[c:11]([N:25]4[CH2:24][C:23]([CH3:22])([CH2:28][NH2:29])[CH2:27][CH2:26]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 14235023(3-Methylpyrrolidin-3-YL)methanamineHCID 146512581-Cyclopropyl-5-methyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Product 1

HCID 147741087-[3-(Aminomethyl)-3-methyl-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid

Sources & evidence

ORD record
ord-335d358a590647b1ad1d9b435ab276cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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