Methanol → 4-{N-[4-(3-nitrophenyl)-2-butyl]-aminomethyl}-2,2-dimethylchroman
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[B:29]([O-:30])=[O:31].[CH3:15][C:16]1([CH3:28])[O:17][c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[CH:24]([CH:26]=[O:27])[CH2:25]1.[CH3:33][OH:34].[NH2:1][CH:2]([CH3:3])[CH2:4][CH2:5][c:6]1[cH:7][c:8]([N+:12](=[O:13])[O-:14])[cH:9][cH:10][cH:11]1.[Na+:32]>>[NH:1]([CH:2]([CH3:3])[CH2:4][CH2:5][c:6]1[cH:7][c:8]([N+:12](=[O:13])[O-:14])[cH:9][cH:10][cH:11]1)[CH2:26][CH:24]1[c:23]2[c:18]([cH:19][cH:20][cH:21][cH:22]2)[O:17][C:16]([CH3:15])([CH3:28])[CH2:25]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-4a966dbd5d46432db75cf67547a0867d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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