Acetic Acid → HCID 13257633, 화합물
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[BH4-:20].[CH3:22][C:23](=[O:24])[OH:25].[CH3:26][CH2:27][OH:28].[Cl:1][c:2]1[cH:3][c:4]([F:19])[c:5]([N:8]2[C:9](=[O:18])[C:10]3=[C:15]([CH2:14][CH2:13][CH2:12][CH2:11]3)[C:16]2=[O:17])[cH:6][cH:7]1.[Na+:21]>>[Cl:1][c:2]1[cH:3][c:4]([F:19])[c:5]([N:8]2[C:9](=[O:18])[C:10]3=[C:15]([CH2:14][CH2:13][CH2:12][CH2:11]3)[CH:16]2[OH:17])[cH:6][cH:7]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-5e3850b128b54823a62b6c35ac786325
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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