Acetaldehyde → (+/-)-3,4-diethyl-3,4-dihydro-7-nitro-2H-1,4-benzoxazine
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[C:19]([BH3-:20])#[N:21].[CH2:1]([CH3:2])[CH:3]1[CH2:4][O:5][c:6]2[c:7]([cH:9][cH:10][c:11]([N+:13](=[O:14])[O-:15])[cH:12]2)[NH:8]1.[CH:16]([CH3:17])=[O:18].[Na+:22]>>[CH2:1]([CH3:2])[CH:3]1[CH2:4][O:5][c:6]2[c:7]([cH:9][cH:10][c:11]([N+:13](=[O:14])[O-:15])[cH:12]2)[N:8]1[CH2:16][CH3:17]참가 물질
5
출처 및 근거
- ORD 기록
- ord-3c612fc9875e41949ab64624e44ba011
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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