Acetonitrile → 3-(3-(2,6-Dichlorobenzyloxy)phenyl]-3-hydroxypropionitrile
반응식
[CH3:19][C:20]#[N:21].[Cl:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[cH:7][c:8]([CH:9]=[O:10])[cH:11][cH:12][cH:13]2)[c:14]([Cl:18])[cH:15][cH:16][cH:17]1>>[Cl:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[cH:7][c:8]([CH:9]([OH:10])[CH2:19][C:20]#[N:21])[cH:11][cH:12][cH:13]2)[c:14]([Cl:18])[cH:15][cH:16][cH:17]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-74abd1bcb90a4b299453e4e1bc6453a6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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