Ethanol → 4-Chloro-3-cyanomethyl-5-methyl-benzonitrile
반응식
[Br:1][CH2:2][c:3]1[cH:4][c:5]([C:6]#[N:7])[cH:8][c:9]([CH3:12])[c:10]1[Cl:11].[CH3:16][CH2:17][OH:18].[CH3:20][CH2:21][O:22][C:23](=[O:24])[CH3:25].[K:13][C:14]#[N:15].[OH2:19]>>[CH2:2]([c:3]1[cH:4][c:5]([C:6]#[N:7])[cH:8][c:9]([CH3:12])[c:10]1[Cl:11])[C:14]#[N:15]참가 물질
6
출처 및 근거
- ORD 기록
- ord-4f8da281ba3c472ba9ad6a92d9182176
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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