Acetone → Flurbiprofen

반응식

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

참가 물질

반응물 3

HCID 180Acetone

HCID 3394Flurbiprofen

HCID 111074,4'-Bipyridine

생성물 2

HCID 3394Flurbiprofen

HCID 111074,4'-Bipyridine

출처 및 근거

ORD 기록: ord-98ab2b194b654268916de5ff6ae1dfe2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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