Dimethyl Sulfoxide → 7-Fluoro-1-methyl-8-[4-[3-(methylsulfanylmethyl)phenyl]piperazin-1-yl]-4-oxo-benzo[b][1,8]naphthyridine-3-carboxylic acid

HRID 204505Notes

Reaction equation

HRID 204505 reaction equation
[CH3:22][S:23][CH2:24][c:25]1[cH:26][c:27]([N:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)[cH:28][cH:29][cH:30]1.[CH3:37][S:38](=[O:39])[CH3:40].[F:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]3[n:8]([CH3:18])[cH:9][c:10]([C:15](=[O:16])[OH:17])[c:11](=[O:14])[c:12]3[cH:13]2)[cH:19][c:20]1[F:21]>>[F:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]3[n:8]([CH3:18])[cH:9][c:10]([C:15](=[O:16])[OH:17])[c:11](=[O:14])[c:12]3[cH:13]2)[cH:19][c:20]1[N:34]1[CH2:33][CH2:32][N:31]([c:27]2[cH:26][c:25]([CH2:24][S:23][CH3:22])[cH:30][cH:29][cH:28]2)[CH2:36][CH2:35]1

Participants

4

Reactant 3

HCID 679Dimethyl SulfoxideHCID 111970267,8-Difluoro-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acidHCID 18549162[3-(Methylsulphanylmethyl)phenyl]piperazine

Product 1

HCID 4840697-Fluoro-1-methyl-8-[4-[3-(methylsulfanylmethyl)phenyl]piperazin-1-yl]-4-oxo-benzo[b][1,8]naphthyridine-3-carboxylic acid

Sources & evidence

ORD record
ord-04f94ac9b835477e97479e3fa184ba07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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