Methanesulfonic Acid → HCID 19423711, compound

HRID 134805Notes

Reaction equation

HRID 134805 reaction equation
[CH3:22][S:23]([OH:24])(=[O:25])=[O:26].[CH3:27][S:28]([OH:29])(=[O:30])=[O:31].[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].[NH2:32][CH:33]1[C:34]([CH3:37])([CH3:38])[NH:35][CH2:36]1>>[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:35]1[C:34]([CH3:37])([CH3:38])[CH:33]([NH2:32])[CH2:36]1

Participants

4

Reactant 3

HCID 6395Methanesulfonic Acid2×HCID 100803332,2-Dimethylazetidin-3-amineHCID 111970267,8-Difluoro-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

Product 1

HCID 19423711HCID 19423711, compound

Sources & evidence

ORD record
ord-8963cc556be5447fa0b9b862e2d202a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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