Methanesulfonic Acid → 7-Fluoro-1-methyl-8-(3-methyl-3-dimethylamino-1-azetidinyl)-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

HRID 193108Notes

Reaction equation

HRID 193108 reaction equation
[CH3:22][S:23]([OH:24])(=[O:25])=[O:26].[CH3:27][S:28]([OH:29])(=[O:30])=[O:31].[CH3:32][C:33]1([N:37]([CH3:38])[CH3:39])[CH2:34][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[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:35]1[CH2:34][C:33]([CH3:32])([N:37]([CH3:38])[CH3:39])[CH2:36]1

Participants

4

Reactant 3

HCID 6395Methanesulfonic Acid2×HCID 111970267,8-Difluoro-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acidHCID 14852460N,N,3-trimethylazetidin-3-amine

Product 1

HCID 194236877-Fluoro-1-methyl-8-(3-methyl-3-dimethylamino-1-azetidinyl)-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

Sources & evidence

ORD record
ord-90a4a9433bfe46b095ce8db0d1273b99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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