Acetic Acid → 2-Hydroxy-3-(o-tolylthio)benzaldehyde
반응식
[CH3:22][CH2:23][O:24][C:25](=[O:26])[CH3:27].[CH3:28][C:29](=[O:30])[OH:31].[O-:1][O+:2]=[O:3].[c:4]1([CH3:21])[c:5]([S:10][c:11]2[c:12]([OH:20])[c:13]([CH:17]=[CH:18][CH3:19])[cH:14][cH:15][cH:16]2)[cH:6][cH:7][cH:8][cH:9]1>>[O:1]=[CH:17][c:13]1[c:12]([OH:20])[c:11]([S:10][c:5]2[c:4]([CH3:21])[cH:9][cH:8][cH:7][cH:6]2)[cH:16][cH:15][cH:14]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-c1746cf0e345473480ad63c9ca10336a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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