Acetic Acid → Rwj 29009
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[Br-:24].[CH3:26][C:27](=[O:28])[OH:29].[K+:25].[OH:1][CH:2]1[CH:3]([N:13]2[C:14](=[O:19])[CH2:15][CH2:16][CH2:17][CH2:18]2)[c:4]2[c:5]([cH:10][cH:11][s:12]2)[O:6][C:7]1([CH3:8])[CH3:9].[OH:20][N+:21]([O-:22])=[O:23]>>[OH:1][CH:2]1[CH:3]([N:13]2[C:14](=[O:19])[CH2:15][CH2:16][CH2:17][CH2:18]2)[c:4]2[c:5]([cH:10][c:11]([N+:21](=[O:20])[O-:22])[s:12]2)[O:6][C:7]1([CH3:8])[CH3:9]참가 물질
6
출처 및 근거
- ORD 기록
- ord-ff16ff00d7424af08e81071e465fde41
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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