Acetic Acid → HCID 68511467, 화합물
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[CH3:26][OH:27].[CH3:28][C:29](=[O:30])[OH:31].[Cl:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[cH:7][c:8]([N+:13]([O-:14])=[O:15])[c:9]([NH2:10])[cH:11][cH:12]2)[c:16]([Cl:20])[cH:17][cH:18][cH:19]1.[Cl:23][CH2:24][Cl:25].[Fe:32].[Na+:22].[OH-:21]>>[Cl:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[cH:7][c:8]([NH2:13])[c:9]([NH2:10])[cH:11][cH:12]2)[c:16]([Cl:20])[cH:17][cH:18][cH:19]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-59e1d19125b7461f87a6335a65ec3cf5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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