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

HRID 1570264Notes

Reaction equation

HRID 1570264 reaction equation
[CH3:24][S:25]([OH:26])(=[O:27])=[O:28].[CH3:29][S:30]([OH:31])(=[O:32])=[O:33].[CH3:34][C:35]1([N:39]([CH3:40])[CH3:41])[CH2:36][NH:37][CH2:38]1.[CH:1]1([n:4]2[cH:5][c:6]([C:21](=[O:22])[OH:23])[c:7](=[O:20])[c:8]3[cH:9][c:10]4[c:11]([n:12][c:13]23)[cH:14][c:15]([F:19])[c:16]([F:18])[cH:17]4)[CH2:2][CH2:3]1>>[CH:1]1([n:4]2[cH:5][c:6]([C:21](=[O:22])[OH:23])[c:7](=[O:20])[c:8]3[cH:9][c:10]4[c:11]([n:12][c:13]23)[cH:14][c:15]([N:37]2[CH2:36][C:35]([CH3:34])([N:39]([CH3:40])[CH3:41])[CH2:38]2)[c:16]([F:18])[cH:17]4)[CH2:2][CH2:3]1

Participants

4

Reactant 3

HCID 6395Methanesulfonic Acid2×HCID 14852460N,N,3-trimethylazetidin-3-amineHCID 148533411-Cyclopropyl-7,8-difluoro-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

Product 1

HCID 194236691-Cyclopropyl-7-fluoro-8-(3-methyl-3-dimethylamino-1-azetidinyl)-4-oxo-1,4-dihydrobenzo[b][1,8]-naphthyridine-3-carboxylic acid

Sources & evidence

ORD record
ord-4fb3596d505946bcb94c71056de5dae7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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