Methane → HCID 13314808, 화합물
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[C:24].[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([N+:17]([O-:18])=[O:19])[cH:15][cH:16]2)[n:7]1.[CH3:20][OH:21].[CH3:26][CH2:27][O:28][C:29](=[O:30])[CH3:31].[H:22][H:23].[Pd:25]>>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([NH2:17])[cH:15][cH:16]2)[n:7]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-da78247bab104ddb862d6dc4e79295d7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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