Ethanol → HCID 39733728, 화합물
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[Ba+2:2].[CH3:23][CH2:24][OH:25].[O:4]1[CH2:5][CH2:6][N:7]([C:10](=[S:8])[CH2:11][c:12]2[cH:13][cH:14][c:15]3[c:20]([cH:21]2)[NH:19][CH2:18][CH2:17][CH2:16]3)[CH2:9][CH2:22]1.[OH-:1].[OH-:3]>>[O:1]=[C:10]([OH:3])[CH2:11][c:12]1[cH:13][cH:14][c:15]2[c:20]([cH:21]1)[NH:19][CH2:18][CH2:17][CH2:16]2참가 물질
5
출처 및 근거
- ORD 기록
- ord-5c41175e4b7a49deae0e10240c038013
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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