Triethylamine → (RS)-1-cyclopropyl-7-fluoro-8-[3-(4-fluorophenyl)-1-piperazinyl]-4-oxo-1,4-dihydrobenzo[b][1,8]-naphthyridine-3-carboxylic acid

HRID 154968

반응식

HRID 154968 반응식
[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[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.[F:24][c:25]1[cH:26][cH:27][c:28]([CH:31]2[NH:32][CH2:33][CH2:34][NH:35][CH2:36]2)[cH:29][cH:30]1>>[c:2]1([N:35]2[CH2:34][CH2:33][NH:32][CH:31]([c:28]3[cH:27][cH:26][c:25]([F:24])[cH:30][cH:29]3)[CH2:36]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

4

반응물 3

HCID 8471TriethylamineHCID 46176232-(4-Fluorophenyl)piperazineHCID 147005568-Chloro-1-cyclopropyl-7-fluoro-4-oxo-1,4-dihydro-benzo[b][1,8]naphthyridine-3-carboxylic acid

생성물 1

HCID 54113196(RS)-1-cyclopropyl-7-fluoro-8-[3-(4-fluorophenyl)-1-piperazinyl]-4-oxo-1,4-dihydrobenzo[b][1,8]-naphthyridine-3-carboxylic acid

출처 및 근거

ORD 기록
ord-3c205061c26a4ec49bfa66195ab49267
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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