1-Methylpiperazine → 1-Cyclopropyl-3-ethoxycarbonyl-7,9-difluoro-8-(4-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-benzo[b][1,8]naphthyridine

반응식

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

참가 물질

반응물 2

HCID 531671-Methylpiperazine

HCID 185491641-Cyclopropyl-3-ethoxycarbonyl-7,8,9-trifluoro-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine

생성물 1

HCID 200632741-Cyclopropyl-3-ethoxycarbonyl-7,9-difluoro-8-(4-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-benzo[b][1,8]naphthyridine

출처 및 근거

ORD 기록: ord-d43a1a4a2a6c4aa0918e1dadc298ed82
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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