Dimethylformamide → 1-Cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-5,6,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

반응식

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

참가 물질

반응물 3

HCID 6228Dimethylformamide

HCID 660562,6-Dimethylpiperazine

HCID 138255151-Cyclopropyl-5,6,7,8-tetrafluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

생성물 1

HCID 34472391-Cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-5,6,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

출처 및 근거

ORD 기록: ord-7f6adb1ea88e405ebd389a66b3321042
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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