Chloride → 2-Hydroxy-3,3-dimethyl-2,3-dihydrobenzofuran-5-carbonitrile
반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:13]1)[C:7]([CH3:11])([CH3:12])[CH:8]([OH:10])[O:9]2.[C-:14]#[N:15].[CH3:18][N:19]([CH3:20])[CH:21]=[O:22].[Cl-:16].[ClH:17].[OH2:23]>>[c:2]1([C:14]#[N:15])[cH:3][cH:4][c:5]2[c:6]([cH:13]1)[C:7]([CH3:11])([CH3:12])[CH:8]([OH:10])[O:9]2참가 물질
7
출처 및 근거
- ORD 기록
- ord-9b24e185a95545aa893bbacfa543b0f2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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