2-(3-Fluorophenyl)piperazine → (RS)-7-fluoro-8-[3-(3-fluorophenyl)-1-piperazinyl]-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

반응식

[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:22][c:23]1[cH:24][c:25]([CH:29]2[NH:30][CH2:31][CH2:32][NH:33][CH2:34]2)[cH:26][cH:27][cH:28]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:33]1[CH2:32][CH2:31][NH:30][CH:29]([c:25]2[cH:24][c:23]([F:22])[cH:28][cH:27][cH:26]2)[CH2:34]1

참가 물질

반응물 2

HCID 34578962-(3-Fluorophenyl)piperazine

HCID 111970267,8-Difluoro-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

생성물 1

HCID 54448567(RS)-7-fluoro-8-[3-(3-fluorophenyl)-1-piperazinyl]-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

출처 및 근거

ORD 기록: ord-7ce3cc52a6d54f4289772e32704642db
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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