Acetic Acid → HCID 21479418, 화합물
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[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][cH:8][c:9]2[c:13]1[S:12][CH2:11][C:10]2([CH3:14])[CH3:15].[CH3:20][C:21](=[O:22])[OH:23].[OH:16][N+:17]([O-:18])=[O:19]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([N+:17](=[O:16])[O-:18])[cH:8][c:9]2[c:13]1[S:12][CH2:11][C:10]2([CH3:14])[CH3:15]참가 물질
4
출처 및 근거
- ORD 기록
- ord-99a0fc70a28a4c9d8e265594a8e8b58b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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