Water → Ethyl (2,4,5-trifluoro-3-methyl-6-nitrobenzoyl)acetate
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[F:1][c:2]1[c:3]([C:4](=[O:5])[CH:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[C:12]([O:13][CH2:14][CH3:15])=[O:16])[c:17]([N+:24](=[O:25])[O-:26])[c:18]([F:23])[c:19]([F:22])[c:20]1[CH3:21].[OH2:38].[c:27]1([CH3:28])[cH:29][cH:30][c:31]([S:32]([OH:33])(=[O:34])=[O:35])[cH:36][cH:37]1>>[F:1][c:2]1[c:3]([C:4](=[O:5])[CH2:6][C:7](=[O:8])[O:9][CH2:10][CH3:11])[c:17]([N+:24](=[O:25])[O-:26])[c:18]([F:23])[c:19]([F:22])[c:20]1[CH3:21]참가 물질
4
출처 및 근거
- ORD 기록
- ord-d92db41d7eb346108c48cd7af7e9c46d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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