1-(3-Ethyl-2,4-dihydroxyphenyl)ethanone → 5-(3-((4-Acetyl-2-ethyl-3-hydroxyphenoxy)methyl)phenylthio) picolinonitrile
반응식
[CH2:18]([CH3:19])[c:20]1[c:21]([OH:30])[c:22]([C:27]([CH3:28])=[O:29])[cH:23][cH:24][c:25]1[OH:26].[OH:1][CH2:2][c:3]1[cH:4][c:5]([S:9][c:10]2[cH:11][cH:12][c:13]([C:16]#[N:17])[n:14][cH:15]2)[cH:6][cH:7][cH:8]1>>[O:1]([CH2:2][c:3]1[cH:4][c:5]([S:9][c:10]2[cH:11][cH:12][c:13]([C:16]#[N:17])[n:14][cH:15]2)[cH:6][cH:7][cH:8]1)[c:25]1[c:20]([CH2:18][CH3:19])[c:21]([OH:30])[c:22]([C:27]([CH3:28])=[O:29])[cH:23][cH:24]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-1a5bc475cc0742438e1444fad0934989
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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