2,6-Dimethylpiperazine → 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-

반응식

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

참가 물질

반응물 3

HCID 660562,6-Dimethylpiperazine

HCID 136165Diazabicyclo(2.2.2)octane

HCID 483180Fluoroquinolonic acid

생성물 1

HCID 4655523-Quinolinecarboxylic acid, 1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-

출처 및 근거

ORD 기록: ord-448df9b089fb4bf6ad0d89d50809a78b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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