Ethanol → 2-[(2-Chloro-4-fluorophenyl)(hydroxy)methyl]cyclopropanecarbonitrile
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[BH4-:1].[CH3:21][CH2:22][OH:23].[CH3:24][CH2:25][O:26][C:27](=[O:28])[CH3:29].[Cl:18][CH2:19][Cl:20].[Cl:3][c:4]1[c:5]([C:6](=[O:7])[CH:8]2[CH:9]([C:11]#[N:12])[CH2:10]2)[cH:13][cH:14][c:15]([F:17])[cH:16]1.[Na+:2]>>[Cl:3][c:4]1[c:5]([CH:6]([OH:7])[CH:8]2[CH:9]([C:11]#[N:12])[CH2:10]2)[cH:13][cH:14][c:15]([F:17])[cH:16]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-1216ea2418fd408b9ab532c338267a3b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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