Acetic Acid → 1-Ethyl-7-fluoro-8-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

HRID 167176Notes

Reaction equation

HRID 167176 reaction equation
[CH3:36][C:37](=[O:38])[OH:39].[Cl:1][c:2]1[c:3]([F:22])[cH:4][c:5]2[c:6]([n:7][c:8]3[n:9]([CH2:19][CH3:20])[cH:10][c:11]([C:16](=[O:17])[OH:18])[c:12](=[O:15])[c:13]3[cH:14]2)[cH:21]1.[F:23][c:24]1[cH:25][cH:26][c:27]([N:30]2[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]2)[cH:28][cH:29]1.[OH2:46].[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[c:2]1([N:33]2[CH2:32][CH2:31][N:30]([c:27]3[cH:26][cH:25][c:24]([F:23])[cH:29][cH:28]3)[CH2:35][CH2:34]2)[c:3]([F:22])[cH:4][c:5]2[c:6]([n:7][c:8]3[n:9]([CH2:19][CH3:20])[cH:10][c:11]([C:16](=[O:17])[OH:18])[c:12](=[O:15])[c:13]3[cH:14]2)[cH:21]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 1049PyridineHCID 752601-(4-Fluorophenyl)piperazineHCID 147005558-Chloro-1-ethyl-7-fluoro-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

Product 1

HCID 98906221-Ethyl-7-fluoro-8-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

Sources & evidence

ORD record
ord-6d8056abdf4f4efaaaa83609197e6667
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…