Benzene → 1-Chloro-5-methoxy-2,6-dimethylheptane
반응식
[CH3:23][N:24]([CH3:25])[CH:26]=[O:27].[OH:1][CH2:2][CH:3]([CH2:4][CH2:5][CH:6]([CH:7]([CH3:8])[CH3:9])[O:10][CH3:11])[CH3:12].[S:13]([Cl:14])([Cl:15])=[O:16].[cH:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[CH2:2]([CH:3]([CH2:4][CH2:5][CH:6]([CH:7]([CH3:8])[CH3:9])[O:10][CH3:11])[CH3:12])[Cl:15]참가 물질
5
출처 및 근거
- ORD 기록
- ord-f0d79dadca614cd783ec08eaff19d3c9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
반응 노트
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