Ammonium → 2-[(2,4-Difluorophenyl)(hydroxy)methyl]cyclopropanecarbonitrile
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[BH4-:1].[CH3:20][CH2:21][OH:22].[CH3:23][CH2:24][O:25][C:26](=[O:27])[CH3:28].[Cl-:18].[F: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.[NH4+:19].[Na+:2]>>[F: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
8
출처 및 근거
- ORD 기록
- ord-a4642676f242497da88c4d4a37629650
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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