Acetic Acid → Chloride
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[CH3:23][C:24](=[O:25])[OH:26].[Cl-:1].[N+:11](=[O:12])([O-:13])[c:14]1[cH:15][cH:16][c:17]([C:20]([CH3:21])=[O:22])[cH:18][cH:19]1.[NH2:2][n+:3]1[c:4]([CH2:9][CH3:10])[n:5]([NH2:8])[cH:6][cH:7]1>>[Cl-:1].[NH2:2][n+:3]1[c:4]([CH2:9][CH3:10])[n:5]([N:8]=[C:20]([c:17]2[cH:16][cH:15][c:14]([N+:11](=[O:12])[O-:13])[cH:19][cH:18]2)[CH3:21])[cH:6][cH:7]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-29e59df5edfb4821a73696981cf5847a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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