1-(3-Fluoro-4-piperazin-1-ylphenyl)ethanone → 1-{3-Fluoro-4-[4-(5-methylsulfanyl-2-morpholin-4-yl-benzoyl)-piperazin-1-yl]-phenyl}-ethanone

HRID 2331074

반응식

HRID 2331074 반응식
[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([N:12]2[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[c:7]([C:8](=[O:9])[OH:10])[cH:11]1.[F:18][c:19]1[cH:20][c:21]([C:31]([CH3:32])=[O:33])[cH:22][cH:23][c:24]1[N:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1>>[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([N:12]2[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[c:7]([C:8](=[O:10])[N:28]2[CH2:27][CH2:26][N:25]([c:24]3[c:19]([F:18])[cH:20][c:21]([C:31]([CH3:32])=[O:33])[cH:22][cH:23]3)[CH2:30][CH2:29]2)[cH:11]1

참가 물질

3

반응물 2

HCID 6856101-(3-Fluoro-4-piperazin-1-ylphenyl)ethanoneHCID 597935765-Methylsulfanyl-2-morpholin-4-yl-benzoic acid

생성물 1

HCID 597934981-{3-Fluoro-4-[4-(5-methylsulfanyl-2-morpholin-4-yl-benzoyl)-piperazin-1-yl]-phenyl}-ethanone

출처 및 근거

ORD 기록
ord-e0a4d250d6fa4831bae4a77c5afdc322
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

연결된 노트

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