Pyridine → (RS)-7-fluoro-1-methyl-4-oxo-8-(3-phenyl-1-piperazinyl)-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

HRID 91413

Reaction equation

HRID 91413 reaction equation
[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[Cl:1][c:2]1[c:3]([F:21])[cH:4][c:5]2[c:6]([n:7][c:8]3[n:9]([CH3:19])[cH:10][c:11]([C:16](=[O:17])[OH:18])[c:12](=[O:15])[c:13]3[cH:14]2)[cH:20]1.[c:22]1([CH:28]2[NH:29][CH2:30][CH2:31][NH:32][CH2:33]2)[cH:23][cH:24][cH:25][cH:26][cH:27]1.[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1>>[c:2]1([N:32]2[CH2:31][CH2:30][NH:29][CH:28]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:33]2)[c:3]([F:21])[cH:4][c:5]2[c:6]([n:7][c:8]3[n:9]([CH3:19])[cH:10][c:11]([C:16](=[O:17])[OH:18])[c:12](=[O:15])[c:13]3[cH:14]2)[cH:20]1

Participants

5

Reactant 4

HCID 1049PyridineHCID 8471TriethylamineHCID 2506732-PhenylpiperazineHCID 147005548-Chloro-7-fluoro-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

Product 1

HCID 9889025(RS)-7-fluoro-1-methyl-4-oxo-8-(3-phenyl-1-piperazinyl)-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

Sources & evidence

ORD record
ord-31277cb7238146629c20c8e08c4c08c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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