Acetic Acid → HCID 20279418, 화합물
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[CH3:22][C:23]([OH:24])=[O:25].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][c:8]3[c:9]([cH:14][c:15]2[OH:16])[C:10]([C:12]#[N:13])=[CH:11]3)[c:17]([Cl:21])[cH:18][cH:19][cH:20]1.[ClH:26]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][c:8]3[c:9]([cH:14][c:15]2[OH:16])[C:22]([C:23]([OH:24])=[O:25])=[CH:11]3)[c:17]([Cl:21])[cH:18][cH:19][cH:20]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-893ac303cacd49b59e13761420b5aba5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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