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

반응식

[CH3:23][S:24]([OH:25])(=[O:26])=[O:27].[CH3:28][S:29]([OH:30])(=[O:31])=[O:32].[F:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]3[n:8]([O:18][CH3:19])[cH:9][c:10]([C:15](=[O:16])[OH:17])[c:11](=[O:14])[c:12]3[cH:13]2)[cH:20][c:21]1[F:22].[NH2:33][C:34]1([CH3:38])[CH2:35][NH:36][CH2:37]1>>[F:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]3[n:8]([O:18][CH3:19])[cH:9][c:10]([C:15](=[O:16])[OH:17])[c:11](=[O:14])[c:12]3[cH:13]2)[cH:20][c:21]1[N:36]1[CH2:35][C:34]([NH2:33])([CH3:38])[CH2:37]1

참가 물질

반응물 3

HCID 6395Methanesulfonic Acid2회

HCID 103292483-Methylazetidin-3-amine

HCID 148533437,8-Difluoro-1-methoxy-4-oxo-1,4-dihydro-benzo[b][1,8]naphthyridine-3-carboxylic acid

생성물 1

HCID 194237518-(3-Amino-3-methyl-1-azetidinyl)-7-fluoro-1-methoxy-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

출처 및 근거

ORD 기록: ord-7c44264933674e089661b0baa0771cc8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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