Acetic Acid → HCID 14338586, 화합물
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[CH3:16][I:17].[CH3:20][C:21](=[O:22])[OH:23].[CH3:25][CH2:26][OH:27].[Na+:19].[OH-:18].[OH2:24].[n:1]1[c:2]([CH2:7][c:8]2[c:9](=[O:15])[nH:10][c:11](=[S:14])[nH:12][cH:13]2)[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([CH2:7][c:8]2[c:9](=[O:15])[nH:10][c:11]([S:14][CH3:20])[n:12][cH:13]2)[cH:3][cH:4][cH:5][cH:6]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-a9cfe3509a6f4416ad042b30065f2662
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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