Acetone → HCID 19917495, 화합물
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[CH3:23][C:24](=[O:25])[CH3:26].[F:14][C:15]([C:16](=[C:17]([F:18])[F:19])[F:20])([F:21])[F:22].[F:1][CH2:2][c:3]1[cH:4][c:5]([OH:11])[cH:6][c:7]([CH2:9][F:10])[cH:8]1.[Na+:13].[OH-:12].[OH2:27]>>[F:1][CH2:2][c:3]1[cH:4][c:5]([O:11][C:17]([CH:16]([C:15]([F:14])([F:21])[F:22])[F:20])([F:18])[F:19])[cH:6][c:7]([CH2:9][F:10])[cH:8]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-554429630f9e4c2ca4b707094a5a7624
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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