Acetate → HCID 66915584, 화합물
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[Br:1][c:2]1[cH:3][c:4]([O:10][CH3:11])[c:5]([OH:9])[cH:6][c:7]1[CH3:8].[CH3:21][C:22](=[O:23])[O-:24].[Cl:25][CH2:26][Cl:27].[OH:12][B:13]([OH:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[Br:1][c:2]1[cH:3][c:4]([O:10][CH3:11])[c:5]([O:9][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:6][c:7]1[CH3:8]참가 물질
5
출처 및 근거
- ORD 기록
- ord-181bbbbf81944c5fb2532771084d6bb9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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