Methanol → HCID 91574723, 화합물
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[CH2:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1.[CH3:18][O:19][C:20](=[O:21])[CH2:22][C:23]#[N:24].[CH3:31][OH:32].[Cl:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][c:7]([N+:15](=[O:16])[O-:17])[c:8]([CH:9]=[O:10])[cH:11][c:12]1[O:13][CH3:14]>>[Cl:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][c:7]([N+:15](=[O:16])[O-:17])[c:8]([CH:9]=[C:22]([C:20]([O:19][CH3:18])=[O:21])[C:23]#[N:24])[cH:11][c:12]1[O:13][CH3:14]참가 물질
5
출처 및 근거
- ORD 기록
- ord-789155793fa34f6493f0ae58f33aa7f3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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