Ethanol → HCID 57452913, 화합물
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[CH3:22][CH2:23][OH:24].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([O:8][CH:9]2[CH2:10][CH2:11][CH:12]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:13][CH2:14]2)[cH:20][cH:21]1.[Pd:25]>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([O:8][CH:9]2[CH2:10][CH2:11][CH:12]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:13][CH2:14]2)[cH:20][cH:21]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-c93037d9379b497e990b9006c39542d7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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