Acetic Acid → 6-tert-Butyl-4-chloro-m-cresol
반응식
[CH3:10][C:11]([CH3:12])([CH3:13])[OH:14].[CH3:23][C:24](=[O:25])[OH:26].[Cl:1][c:2]1[c:3]([CH3:9])[cH:4][c:5]([OH:8])[cH:6][cH:7]1.[Cl:20][CH2:21][Cl:22].[S:15](=[O:16])(=[O:17])([OH:18])[OH:19]>>[Cl:1][c:2]1[c:3]([CH3:9])[cH:4][c:5]([OH:8])[c:6]([C:11]([CH3:10])([CH3:12])[CH3:13])[cH:7]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-5be26c5d24fb4773bc8934de5cc19359
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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