Ethanol → HCID 22759849, 화합물
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[CH3:29][OH:30].[CH3:31][CH2:32][OH:33].[H:26][H:27].[OH2:28].[c:1]1([C:7]([CH2:8][CH:9]2[N:10]3[CH2:11][CH2:12][CH:13]([CH2:14]2)[CH2:15][CH2:16]3)([CH2:17][CH:18]=[CH2:19])[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]([CH2:8][CH:9]2[N:10]3[CH2:11][CH2:12][CH:13]([CH2:14]2)[CH2:15][CH2:16]3)([CH2:17][CH2:18][CH3:19])[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-96a5459eeb4c400c82918586418ee118
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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