Ethanol → HCID 13302029, 화합물
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[CH3:31][CH2:32][OH:33].[K+:30].[OH-:29].[OH2:34].[S:1]1[C:2](=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[c:19]2[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]2)[S:3][CH2:4][CH2:5][CH2:6]1>>[S:1]1[C:2](=[C:7]([C:8](=[O:9])[OH:10])[c:19]2[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]2)[S:3][CH2:4][CH2:5][CH2:6]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-96093088508c42898cef9a9a5319eeb7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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