1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one → 5-(4-((4-Acetyl-3-hydroxy-2-methylphenoxy)methyl)phenylthio) picolinonitrile
반응식
[OH:18][c:19]1[c:20]([C:27]([CH3:28])=[O:29])[cH:21][cH:22][c:23]([OH:26])[c:24]1[CH3:25].[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([S:9][c:10]2[cH:11][cH:12][c:13]([C:16]#[N:17])[n:14][cH:15]2)[cH:7][cH:8]1>>[O:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([S:9][c:10]2[cH:11][cH:12][c:13]([C:16]#[N:17])[n:14][cH:15]2)[cH:7][cH:8]1)[c:23]1[cH:22][cH:21][c:20]([C:27]([CH3:28])=[O:29])[c:19]([OH:18])[c:24]1[CH3:25]참가 물질
3
출처 및 근거
- ORD 기록
- ord-a2b289005a7b49049c80129d117e2451
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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