Vanillin → 4-[2-(Dimethylamino)ethoxy]-3-methoxybenzaldehyde
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[C:12](=[O:13])([O-:14])[O-:15].[CH3:18][N:19]([CH3:20])[CH2:21][CH2:22][Cl:23].[Cs+:16].[Cs+:17].[O:1]=[CH:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([OH:9])[cH:10][cH:11]1.[O:24]=[CH:25][N:26]([CH3:27])[CH3:28]>>[O:1]=[CH:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([O:9][CH2:22][CH2:21][N:19]([CH3:18])[CH3:20])[cH:10][cH:11]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-a89a14feb68b4854a974e9d933c7421a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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