Acetic Acid → HCID 58055087, 화합물
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[C:27]([OH:28])(=[O:29])[CH3:30].[CH3:1][O:2][NH2:3].[F:4][c:5]1[cH:6][c:7]([CH2:8][NH:9][C:10]([NH:11][c:12]2[s:13][cH:14][c:15]([CH2:17][N:18]([CH3:19])[O:20][CH3:21])[n:16]2)=[O:22])[cH:23][cH:24][cH:25]1.[OH2:26].[Zn:31]>>[F:4][c:5]1[cH:6][c:7]([CH2:8][NH:9][C:10]([NH:11][c:12]2[s:13][cH:14][c:15]([CH2:17][NH:18][CH3:19])[n:16]2)=[O:22])[cH:23][cH:24][cH:25]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-dbad2c298fa44212ae53b86e3c8500c7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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