Acetone → HCID 54393850, 화합물
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[Br:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]=[CH:12][C:13](=[O:14])[c:15]2[c:16]([OH:27])[cH:17][c:18]([O:21][CH2:22][CH:23]=[C:24]([CH3:25])[CH3:26])[cH:19][cH:20]2)[cH:9][cH:10]1.[CH3:37][C:38](=[O:39])[CH3:40].[K+:29].[OH-:28]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]=[CH:12][C:13](=[O:14])[c:15]2[c:16]([O:27][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:17][c:18]([O:21][CH2:22][CH:23]=[C:24]([CH3:25])[CH3:26])[cH:19][cH:20]2)[cH:9][cH:10]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-f5521303273d40fe8415b7ed0ac25da7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)