Hydrochloric Acid → 8-(3-Diethylamino-1-azetidinyl)-3-ethoxy-carbonyl-7-fluoro-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid2회

HCID 19423746N,N-Diethylazetidin-3-amine

HCID 867492133-Ethoxy-carbonyl-7,8-difluoro-1-methyl-4-oxo-1,4-dihydro-benzo[b][1,8]naphthyridine

생성물 1

HCID 867498338-(3-Diethylamino-1-azetidinyl)-3-ethoxy-carbonyl-7-fluoro-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine

출처 및 근거

ORD 기록: ord-5c3320e25d22456ca0bf896677959b72
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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