Benzoylacetone → HCID 178450120, 화합물

반응식

[C:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)(=[O:39])[CH2:40][C:41]([CH3:42])=[O:43].[NH2:1][CH:2]([C:3](=[O:4])[OH:5])[CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][c:16]2[n:17][c:18](-[c:22]3[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]3)[o:19][c:20]2[CH3:21])[cH:11][cH:12]1>>[NH:1]([CH:2]([C:3](=[O:4])[OH:5])[CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][c:16]2[n:17][c:18](-[c:22]3[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]3)[o:19][c:20]2[CH3:21])[cH:11][cH:12]1)[C:41](=[CH:40][C:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)=[O:39])[CH3:42]

참가 물질

반응물 2

HCID 7166Benzoylacetone

HCID 178434843HCID 178434843, 화합물

생성물 1

HCID 178450120HCID 178450120, 화합물

출처 및 근거

ORD 기록: ord-7fd19005d44440f78f29ce00a471b366
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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