Dimethyl Sulfoxide → 8-[(Cyclohexyl)(methyl)amino]-7-fluoro-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

HRID 202117Notes

Reaction equation

HRID 202117 reaction equation
[CH3:22][NH:23][CH:24]1[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1.[CH3:30][S:31](=[O:32])[CH3:33].[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:23]([CH3:22])[CH:24]1[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1

Participants

4

Reactant 3

HCID 679Dimethyl SulfoxideHCID 7514N-MethylcyclohexylamineHCID 111970267,8-Difluoro-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

Product 1

HCID 99299188-[(Cyclohexyl)(methyl)amino]-7-fluoro-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

Sources & evidence

ORD record
ord-886a6c042e5c4d64ab1cf6c4a68803b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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