Methyl Ethyl Ketone → HCID 13053834, 화합물

HRID 671905

반응식

HRID 671905 반응식
[CH2:32]([C:33]([CH3:34])=[O:35])[CH3:36].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[F:12][C:13]([c:14]1[cH:15][c:16]([N:20]=[C:21]=[O:22])[cH:17][cH:18][cH:19]1)([F:23])[F:24].[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8](=[O:10])[o:9]2)[cH:11]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8](=[O:10])[o:9]2)[cH:11]1)[C:21]([NH:20][c:16]1[cH:15][c:14]([C:13]([F:12])([F:23])[F:24])[cH:19][cH:18][cH:17]1)=[O:22]

참가 물질

5

출처 및 근거

ORD 기록
ord-342b6a9c398b43faa121a6866cd51461
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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