Benzene → 1,3,3,6,6-Pentamethylcyclohex-1-ene
반응식
[CH3:1][C:2]1([OH:12])[C:3]([CH3:10])([CH3:11])[CH2:4][CH2:5][C:6]([CH3:8])([CH3:9])[CH2:7]1.[OH2:24].[c:13]1([CH3:14])[cH:15][cH:16][c:17]([S:18]([OH:19])(=[O:20])=[O:21])[cH:22][cH:23]1.[cH:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[CH3:1][C:2]1=[CH:7][C:6]([CH3:8])([CH3:9])[CH2:5][CH2:4][C:3]1([CH3:10])[CH3:11]참가 물질
5
출처 및 근거
- ORD 기록
- ord-8d331e6e2fd94ba7a14f7b597f039638
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
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