Acetic Acid → HCID 20184512, 화합물
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[CH3:1][O:2][c:3]1[c:4](-[c:12]2[nH:13][c:14]3[c:15]([n:16][cH:17][cH:18][cH:19]3)[n:20]2)[cH:5][cH:6][c:7]([CH2:9][S:10][CH3:11])[cH:8]1.[CH3:24][C:25](=[O:26])[OH:27].[NH3:23].[OH2:28].[OH:21][OH:22]>>[CH3:1][O:2][c:3]1[c:4](-[c:12]2[nH:13][c:14]3[c:15]([n:16][cH:17][cH:18][cH:19]3)[n:20]2)[cH:5][cH:6][c:7]([CH2:9][S:10]([CH3:11])=[O:21])[cH:8]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-1b66a23f572b4c11a297a18cf63f5277
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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