Ammonium → 5-(4-tert-BUTYLPHENYL)-3-ISOXAZOLECARBOXAMIDE
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][c:13]([C:16]([O:18][CH2:17][CH3:19])=[O:20])[n:14][o:15]2)[cH:9][cH:10]1.[NH4+:21].[OH-:22].[OH2:23]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][c:13]([C:16](=[O:18])[NH2:21])[n:14][o:15]2)[cH:9][cH:10]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-25c562c7a747440ebeae191c336990ce
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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