Acetone → Ethyl 4-[4-(2-nitro-4-trifluoromethylphenoxy)phenoxy]-3-methoxy-2-pentenoate
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[Br:22][CH:23]([C:24](=[CH:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[O:31][CH3:32])[CH3:33].[CH3:40][C:41](=[O:42])[CH3:43].[K+:34].[K+:35].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([OH:13])[cH:11][cH:12]2)[cH:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]1.[O-:36][C:37]([O-:38])=[O:39]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([O:13][CH:23]([C:24](=[CH:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[O:31][CH3:32])[CH3:33])[cH:11][cH:12]2)[cH:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-51cb336f30dc46b6ab21ec756f6b53df
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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