Methanol → HCID 58980642, 화합물
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[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:8]#[N:9])[c:10]([OH:13])[cH:11][n:12]1.[C:32](#[N:33])[CH3:34].[CH3:23][Si:24]([CH:25]=[N+:26]=[N-:27])([CH3:28])[CH3:29].[CH3:30][OH:31].[CH:14]([N:15]([CH2:16][CH3:17])[CH:18]([CH3:19])[CH3:20])([CH3:21])[CH3:22]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:8]#[N:9])[c:10]([O:13][CH3:14])[cH:11][n:12]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-af41604bf99648caacbf63432497cb9e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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