Pyridine → 1-Cyclopropyl-7-fluoro-8-(3-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-benzo[b][1,8]naphthyridine-3-carboxylic acid

반응식

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

참가 물질

반응물 3

HCID 1049Pyridine

HCID 660572-Methylpiperazine

HCID 147005568-Chloro-1-cyclopropyl-7-fluoro-4-oxo-1,4-dihydro-benzo[b][1,8]naphthyridine-3-carboxylic acid

생성물 1

HCID 147005751-Cyclopropyl-7-fluoro-8-(3-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-benzo[b][1,8]naphthyridine-3-carboxylic acid

출처 및 근거

ORD 기록: ord-7131b17691894fa2b9a5cd0b3afd045d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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