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

HRID 2139397Notes

Reaction equation

HRID 2139397 reaction equation
[CH2:29]1[CH2:30][CH2:31][C:32]2=[N:37][CH2:36][CH2:35][CH2:34][N:33]2[CH2:38][CH2:39]1.[CH3:40][C:41]#[N:42].[CH:1]1([n:4]2[cH:5][c:6]([C:18](=[O:19])[OH:20])[c:7](=[O:17])[c:8]3[cH:9][c:10]([F:16])[c:11]([F:15])[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1.[NH2:21][CH2:22][CH:23]1[CH2:24][NH:25][CH2:26][CH:27]1[CH3:28]>>[CH:1]1([n:4]2[cH:5][c:6]([C:18](=[O:19])[OH:20])[c:7](=[O:17])[c:8]3[cH:9][c:10]([F:16])[c:11]([N:25]4[CH2:24][CH:23]([CH2:22][NH2:21])[CH:27]([CH3:28])[CH2:26]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 5354141-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidHCID 4583498(4-Methylpyrrolidin-3-yl)methanamine

Product 1

HCID 139205607-(3-Aminomethyl-4-methyl-1-pyrrolidinyl)-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

Sources & evidence

ORD record
ord-e8f8c55692c0468cb13441589ca85b51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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