Acetic Acid → Phenyl acetate
반응식
[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH3:8][C:9]([OH:10])=[O:11].[OH2:12].[OH:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[c:13]1([CH3:14])[cH:15][cH:16][c:17]([S:18]([OH:19])(=[O:20])=[O:21])[cH:22][cH:23]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[C:9]([CH3:8])=[O:10]참가 물질
7
출처 및 근거
- ORD 기록
- ord-acc66cfe09fb4de7a874d8e1d508ea42
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
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