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Hydrochloric Acid → Ethyl 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylate

HRID 696276
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반응식

HRID 696276 반응식
[CH2:1]1[CH2:2][NH:3][CH2:4][CH2:5][NH:6]1.[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:42][CH2:43][OH:44].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH3:50][CH2:51][O:52][CH2:53][CH3:54].[ClH:41].[N:7](=[N+:8]=[N-:9])[c:10]1[c:11]([F:34])[cH:12][c:13]2[c:14](=[O:33])[c:15]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:16][n:17](-[c:20]3[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]3)[c:18]2[n:19]1.[OH2:55]>>[CH2:1]1[CH2:2][N:3]([c:10]2[c:11]([F:34])[cH:12][c:13]3[c:14](=[O:33])[c:15]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:16][n:17](-[c:20]4[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]4)[c:18]3[n:19]2)[CH2:4][CH2:5][NH:6]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 702EthanolHCID 962WaterHCID 3283Diethyl EtherHCID 4837PiperazineHCID 6228DimethylformamideHCID 8857Ethyl Acetate
HCID 13849345
Ethyl 7-azido-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate

생성물 1

HCID 13849334Ethyl 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylate

출처 및 근거

ORD 기록
ord-bf6fae47bcb042e09f5dd71042da5aaf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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