2-Phenylpiperazine → (RS)-3-ethoxycarbonyl-7,9-difluoro-1-methyl-4-oxo-8-(3-phenyl-1-piperazinyl)-1,4-dihydrobenzo[b][1,8]naphthyridine

반응식

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

참가 물질

반응물 2

HCID 2506732-Phenylpiperazine

HCID 194236883-Ethoxycarbonyl-7,8,9-trifluoro-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine

생성물 1

HCID 53821323(RS)-3-ethoxycarbonyl-7,9-difluoro-1-methyl-4-oxo-8-(3-phenyl-1-piperazinyl)-1,4-dihydrobenzo[b][1,8]naphthyridine

출처 및 근거

ORD 기록: ord-a449a5e062654e41822d6e0ba3696250
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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