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Ethanol → 9-[3-(3,4-Dimethylphenyl)piperazin-1-yl]-8-fluoro-4-methyl-1-oxo-1,4-dihydrobenzo[f][1,7]naphthyridine-2-carboxylic acid

HRID 115768
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인쇄 미리보기

반응식

HRID 115768 반응식
[CH3:1][c:2]1[cH:3][c:4]([CH:9]2[CH2:10][N:11]([c:15]3[c:16]([F:36])[cH:17][c:18]4[c:19]([c:20]5[c:21](=[O:34])[c:22]([C:29](=[O:30])[O:31][CH2:32][CH3:33])[cH:23][n:24]([CH3:28])[c:25]5[cH:26][n:27]4)[cH:35]3)[CH2:12][CH2:13][NH:14]2)[cH:5][cH:6][c:7]1[CH3:8].[CH3:37][CH2:38][OH:39].[K+:41].[OH-:40].[OH2:42]>>[CH3:1][c:2]1[cH:3][c:4]([CH:9]2[CH2:10][N:11]([c:15]3[c:16]([F:36])[cH:17][c:18]4[c:19]([c:20]5[c:21](=[O:34])[c:22]([C:29](=[O:30])[OH:31])[cH:23][n:24]([CH3:28])[c:25]5[cH:26][n:27]4)[cH:35]3)[CH2:12][CH2:13][NH:14]2)[cH:5][cH:6][c:7]1[CH3:8]
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반응물 5

HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 18523411Ethyl 9-[3-(3,4-dimethylphenyl)piperazin-1-yl]-8-fluoro-4-methyl-1-oxo-1,4-dihydrobenzo[f] [1,7]naphthyridine-2-carboxylate

생성물 1

HCID 18523269
9-[3-(3,4-Dimethylphenyl)piperazin-1-yl]-8-fluoro-4-methyl-1-oxo-1,4-dihydrobenzo[f][1,7]naphthyridine-2-carboxylic acid

출처 및 근거

ORD 기록
ord-d9667fabd13446e899b85372167f17ed
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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