Water → 1-Ethyl-6-fluoro-7-[4-(4-pyridyl)piperazin-1-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

HRID 107472

Reaction equation

HRID 107472 reaction equation
[Cl:1][c:2]1[c:3]([F:18])[cH:4][c:5]2[c:6](=[O:17])[c:7]([C:14](=[O:15])[OH:16])[cH:8][n:9]([CH2:12][CH3:13])[c:10]2[cH:11]1.[OH2:37].[cH:31]1[cH:32][cH:33][n:34][cH:35][cH:36]1.[n:19]1[cH:20][cH:21][c:22]([N:25]2[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]2)[cH:23][cH:24]1>>[c:2]1([N:28]2[CH2:27][CH2:26][N:25]([c:22]3[cH:21][cH:20][n:19][cH:24][cH:23]3)[CH2:30][CH2:29]2)[c:3]([F:18])[cH:4][c:5]2[c:6](=[O:17])[c:7]([C:14](=[O:15])[OH:16])[cH:8][n:9]([CH2:12][CH3:13])[c:10]2[cH:11]1

Participants

5

Reactant 4

HCID 962WaterHCID 1049PyridineHCID 705171-(4-Pyridyl)piperazineHCID 4831697-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Product 1

HCID 154114771-Ethyl-6-fluoro-7-[4-(4-pyridyl)piperazin-1-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-8c25fafa86cf45cc976ead97aa63e481
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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