Hydrochloric Acid → 7,9-Difluoro-1-methyl-8-(3-methylamino-1-azetidinyl)-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

Reaction equation

[CH3:25][NH:26][CH:27]1[CH2:28][NH:29][CH2:30]1.[ClH:23].[ClH:24].[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)[c:19]([F:22])[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)[c:19]([F:22])[c:20]1[N:29]1[CH2:28][CH:27]([NH:26][CH3:25])[CH2:30]1

Participants

Reactant 3

HCID 313Hydrochloric Acid2×

HCID 10086969N-methylazetidin-3-amine

HCID 194236787,8,9-Trifluoro-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

Product 1

HCID 194237637,9-Difluoro-1-methyl-8-(3-methylamino-1-azetidinyl)-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

Sources & evidence

ORD record: ord-b7b7630681b649bba88255fc14eba022
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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