Benzene → HCID 15196529, 화합물
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[BH4-:18].[CH3:1][C:2]([C:3]([CH2:4][CH3:5])=[O:6])([CH3:7])[CH3:8].[CH3:9][CH:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[NH2:17].[Na+:19].[cH:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[CH3:1][C:2]([CH:3]([CH2:4][CH3:5])[NH:17][CH:10]([CH3:9])[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)([CH3:7])[CH3:8]참가 물질
6
출처 및 근거
- ORD 기록
- ord-5193de0b8e6e46e090bfd53d1846faec
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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