Bicarbonate Ion → 4-Methoxy-3-methylsulfanylmethyl-phenylamine
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[C:23](=[O:24])([O-:25])[OH:26].[CH3:29][OH:30].[CH3:9][O:10][c:11]1[c:12]([CH2:20][S:21][CH3:22])[cH:13][c:14]([N+:17]([O-:18])=[O:19])[cH:15][cH:16]1.[Na+:27].[Na+:7].[Na+:8].[OH2:28].[S:1]([S:2]([O-:3])=[O:4])([O-:5])=[O:6]>>[CH3:9][O:10][c:11]1[c:12]([CH2:20][S:21][CH3:22])[cH:13][c:14]([NH2:17])[cH:15][cH:16]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-bdaa3b0cb6ad4ae5b07fb56432577493
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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