Ethanol → 5,6-Diamino-3-butyl-phthalide
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[CH3:21][CH2:22][OH:23].[H:19][H:20].[NH2:1][c:2]1[c:3]([N+:16]([O-:17])=[O:18])[cH:4][c:5]2[c:10]([cH:11]1)[C:8](=[O:9])[O:7][CH:6]2[CH2:12][CH2:13][CH2:14][CH3:15]>>[NH2:1][c:2]1[c:3]([NH2:16])[cH:4][c:5]2[c:10]([cH:11]1)[C:8](=[O:9])[O:7][CH:6]2[CH2:12][CH2:13][CH2:14][CH3:15]참가 물질
4
출처 및 근거
- ORD 기록
- ord-1679abd6ead14b9baff752146e8b2b64
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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