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

HRID 2315801Notes

Reaction equation

HRID 2315801 reaction equation
[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:28][C:29]1([CH2:34][NH2:35])[CH2:30][NH:31][CH2:32][CH2:33]1.[CH3:36][C:37]#[N:38].[Cl:1][c:2]1[c:3]([F:20])[c:4]([F:19])[cH:5][c:6]2[c:7](=[O:18])[c:8]([C:15](=[O:16])[OH:17])[cH:9][n:10]([CH:12]3[CH2:13][CH2:14]3)[c:11]12>>[Cl:1][c:2]1[c:3]([N:31]2[CH2:30][C:29]([CH3:28])([CH2:34][NH2:35])[CH2:33][CH2:32]2)[c:4]([F:19])[cH:5][c:6]2[c:7](=[O:18])[c:8]([C:15](=[O:16])[OH:17])[cH:9][n:10]([CH:12]3[CH2:13][CH2:14]3)[c:11]12

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 98359418-Chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidHCID 14235023(3-Methylpyrrolidin-3-YL)methanamine

Product 1

HCID 142350247-[3-(Aminomethyl)-3-methyl-1-pyrrolidinyl]-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

Sources & evidence

ORD record
ord-22b7866704c8445f94b28dbb6d9c41f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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