Toluene → (4-(3-Bromo-2-fluoro-phenyl)-cyclohex-3-enyl)-dimethyl-amine
반응식
[Br:1][c:2]1[c:3]([F:18])[c:4]([C:8]2([OH:17])[CH2:9][CH2:10][CH:11]([N:14]([CH3:15])[CH3:16])[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1.[CH3:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[Br:1][c:2]1[c:3]([F:18])[c:4]([C:8]2=[CH:9][CH2:10][CH:11]([N:14]([CH3:15])[CH3:16])[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-1be1e249b43a4076b2531ad0f36e44a1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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