Pyridine → 7-Fluoro-1,2-dimethyl-8-(4-methylpiperazin-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid

반응식

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

참가 물질

반응물 3

HCID 1049Pyridine

HCID 531671-Methylpiperazine

HCID 104715868-Chloro-7-fluoro-1,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid

생성물 1

HCID 103856657-Fluoro-1,2-dimethyl-8-(4-methylpiperazin-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid

출처 및 근거

ORD 기록: ord-9b754985dc024ca2aab6b8c4ba494ecd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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