Water → 1-((Trimethylsilyl)ethynyl)-2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethylcyclohexene
반응식
[CH3:1][Si:2]([CH3:3])([CH3:4])[C:5]#[C:6][C:7]1([OH:25])[CH:8]([c:17]2[cH:18][c:19]([CH3:24])[c:20]([F:23])[cH:21][cH:22]2)[CH2:9][C:10]([CH3:15])([CH3:16])[CH2:11][C:12]1([CH3:13])[CH3:14].[CH3:26][C:27]#[N:28].[OH2:29]>>[CH3:1][Si:2]([CH3:3])([CH3:4])[C:5]#[C:6][C:7]1=[C:8]([c:17]2[cH:18][c:19]([CH3:24])[c:20]([F:23])[cH:21][cH:22]2)[CH2:9][C:10]([CH3:15])([CH3:16])[CH2:11][C:12]1([CH3:13])[CH3:14]참가 물질
4
출처 및 근거
- ORD 기록
- ord-370bc3c46b3547e7b71f1d326d6dac23
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
반응 노트
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