Acetate → 3-Phenoxybenzaldehyde
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[Br-:16].[C:25]([O-:26])(=[O:27])[CH3:28].[C:30]([O-:31])(=[O:32])[CH3:33].[CH3:17][C:18]([OH:19])=[O:20].[Co+2:29].[Na+:15].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([CH3:14])[cH:11][cH:12][cH:13]1.[OH2:21].[OH2:22].[OH2:23].[OH2:24]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([CH:14]=[O:19])[cH:11][cH:12][cH:13]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-ae26083660904bc986d98cda6c5bea3c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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