Acetic Acid → HCID 59474756, 화합물
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[CH3:27][C:28](=[O:29])[OH:30].[Cl:3][c:4]1[cH:5][c:6]([CH2:7][NH:8][c:9]2[cH:10][c:11]([CH3:22])[n:12][c:13]3[c:14]([S:19](=[O:20])[CH3:21])[cH:15][cH:16][cH:17][c:18]23)[cH:23][cH:24][c:25]1[Cl:26].[OH:1][OH:2]>>[O:1]=[S:19]([c:14]1[c:13]2[n:12][c:11]([CH3:22])[cH:10][c:9]([NH:8][CH2:7][c:6]3[cH:5][c:4]([Cl:3])[c:25]([Cl:26])[cH:24][cH:23]3)[c:18]2[cH:17][cH:16][cH:15]1)(=[O:20])[CH3:21]참가 물질
4
출처 및 근거
- ORD 기록
- ord-eb52839a887049998c572925b8d0a609
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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