Ethanol → HCID 22768927, 화합물
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[CH2:24]([OH:25])[CH3:26].[CH3:1][c:2]1[cH:3][c:4]2[n:5]([n:6][c:7]1-[c:8]1[cH:9][c:10]([N+:14]([O-:15])=[O:16])[cH:11][cH:12][cH:13]1)[cH:17][n:18][n:19]2.[H:20][H:21].[Pt:22]=[O:23]>>[CH3:1][c:2]1[cH:3][c:4]2[n:5]([n:6][c:7]1-[c:8]1[cH:9][c:10]([NH2:14])[cH:11][cH:12][cH:13]1)[cH:17][n:18][n:19]2참가 물질
5
출처 및 근거
- ORD 기록
- ord-e8babe7294b54e1e88788e809fbad1ce
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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