Water → 2,3,5-Trimethylphenyl acetate
반응식
[CH3:17][C:18](=[O:19])[O:20][C:21](=[O:22])[CH3:23].[CH3:1][c:2]1[cH:3][c:4]([CH3:5])[c:6]([CH3:7])[c:8]([OH:9])[cH:10]1.[Cl:25][CH2:26][Cl:27].[OH2:24].[cH:11]1[cH:12][cH:13][n:14][cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][c:4]([CH3:5])[c:6]([CH3:7])[c:8]([O:9][C:18]([CH3:17])=[O:19])[cH:10]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-58f5713091634b1686a94c07e8f5404c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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