Ethanol → CID 74043826
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[CH3:1][c:2]1[c:3]([F:23])[c:4]([F:22])[c:5]([F:21])[c:6]([F:20])[c:7]1[C:8](=[O:9])[C:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])=[CH:16][O:17][CH2:18][CH3:19].[CH3:28][CH2:29][OH:30].[CH:24]1([NH2:27])[CH2:25][CH2:26]1>>[CH3:1][c:2]1[c:3]([F:23])[c:4]([F:22])[c:5]([F:21])[c:6]([F:20])[c:7]1[C:8](=[O:9])[C:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])=[CH:16][NH:27][CH:24]1[CH2:25][CH2:26]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-6238696a17a047ddac931073d47c0f19
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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