Dimethyl Sulfoxide → 1-(2,4-Difluorophenyl)-7-fluoro-8-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

HRID 98533

Reaction equation

HRID 98533 reaction equation
[CH3:42][S:43](=[O:44])[CH3:45].[F:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]3[n:8](-[c:18]4[c:19]([F:25])[cH:20][c:21]([F:24])[cH:22][cH:23]4)[cH:9][c:10]([C:15](=[O:16])[OH:17])[c:11](=[O:14])[c:12]3[cH:13]2)[cH:26][c:27]1[F:28].[F:29][c:30]1[cH:31][cH:32][c:33]([N:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[cH:34][cH:35]1>>[F:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]3[n:8](-[c:18]4[c:19]([F:25])[cH:20][c:21]([F:24])[cH:22][cH:23]4)[cH:9][c:10]([C:15](=[O:16])[OH:17])[c:11](=[O:14])[c:12]3[cH:13]2)[cH:26][c:27]1[N:39]1[CH2:38][CH2:37][N:36]([c:33]2[cH:32][cH:31][c:30]([F:29])[cH:35][cH:34]2)[CH2:41][CH2:40]1

Participants

4

Reactant 3

HCID 679Dimethyl SulfoxideHCID 752601-(4-Fluorophenyl)piperazineHCID 185491757,8-Difluoro-1-(2,4-difluorophenyl)-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

Product 1

HCID 99373821-(2,4-Difluorophenyl)-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-a849a29431c341ed9d158f4b8c99522a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…