Acetate → Water
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[CH3:18][C:19](=[O:20])[O-:21].[CH3:1][c:2]1[c:3]([C:14]([CH3:15])=[O:16])[n:4][c:5](-[c:7]2[c:8]([CH3:13])[cH:9][n:10][cH:11][cH:12]2)[nH:6]1.[ClH:22].[NH2:23][OH:24].[Na+:17].[OH2:25]>>[CH3:1][c:2]1[c:3]([C:14]([CH3:15])=[N:23][OH:24])[n:4][c:5](-[c:7]2[c:8]([CH3:13])[cH:9][n:10][cH:11][cH:12]2)[nH:6]1.[OH2:16]참가 물질
8
출처 및 근거
- ORD 기록
- ord-213963a8fd6149128bcd7befb2458a10
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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