Acetate → 6-phenoxypyridazin-3(2H)-one
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[CH3:16][C:17]([O-:18])=[O:19].[CH3:22][C:23](=[O:24])[OH:25].[Cl:1][c:2]1[n:3][n:4][c:5]([O:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:6][cH:7]1.[Na+:15].[Na+:21].[OH-:20].[OH2:26]>>[c:2]1(=[O:18])[nH:3][n:4][c:5]([O:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:6][cH:7]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-e694bb8bc8ab485e9db84fc9561b64fd
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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