Water → 5-Formyl-2,3-dihydroxybenzonitrile
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[OH2:11].[OH:12][C:13]([C:14]([F:15])([F:16])[F:17])=[O:18].[OH:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][c:9]1[OH:10]>>[OH:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([CH:13]=[O:12])[cH:8][c:9]1[OH:10]참가 물질
4
출처 및 근거
- ORD 기록
- ord-a8e56acf21e04469bd0ead31fa32431c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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