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Dimethyl Sulfoxide → 1-Cyclopropyl-8-difluoromethoxy-6-fluoro-7-(3-methylpiperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

HRID 172003
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HRID 172003 반응식
[B:8]([F:9])[F:10].[CH3:1][CH:2]1[NH:3][CH2:4][CH2:5][NH:6][CH2:7]1.[CH3:35][S:36](=[O:37])[CH3:38].[CH:11]1([n:14]2[cH:15][c:16]([C:31](=[O:32])[OH:33])[c:17](=[O:30])[c:18]3[cH:19][c:20]([F:29])[c:21]([F:28])[c:22]([O:24][CH:25]([F:26])[F:27])[c:23]23)[CH2:12][CH2:13]1.[OH2:34]>>[CH3:1][CH:2]1[NH:3][CH2:4][CH2:5][N:6]([c:21]2[c:20]([F:29])[cH:19][c:18]3[c:17](=[O:30])[c:16]([C:31](=[O:32])[OH:33])[cH:15][n:14]([CH:11]4[CH2:12][CH2:13]4)[c:23]3[c:22]2[O:24][CH:25]([F:26])[F:27])[CH2:7]1
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반응물 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 660572-MethylpiperazineHCID 139565DifluoroboraneHCID 150237871-Cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

생성물 1

HCID 150237881-Cyclopropyl-8-difluoromethoxy-6-fluoro-7-(3-methylpiperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

출처 및 근거

ORD 기록
ord-5e0362f49d264397b14327ef086c08ec
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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