Sodium Ion → 3-(3,4-Dimethylphenyl)propan-1-amine
반응식
[Al+3:19].[CH3:5][c:6]1[cH:7][c:8]([CH2:13][CH2:14][C:15](=[O:16])[NH2:17])[cH:9][cH:10][c:11]1[CH3:12].[H-:18].[H-:21].[H-:22].[H-:23].[Li+:20].[Na+:25].[O:26]1[CH2:27][CH2:28][CH2:29][CH2:30]1.[OH-:24].[OH2:31].[S:1]([Cl:2])([Cl:3])=[O:4]>>[CH3:5][c:6]1[cH:7][c:8]([CH2:13][CH2:14][CH2:15][NH2:17])[cH:9][cH:10][c:11]1[CH3:12]참가 물질
10
출처 및 근거
- ORD 기록
- ord-ccd4562ac73b477f913b64f8188bac65
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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