Cyanide → [2-methyl-5-(4-trifluoromethoxy-phenyl)-2H-pyrazol-3-yl]-acetonitrile
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[C-:23]#[N:24].[CH2:25]([N+:26]([CH2:27][CH2:28][CH2:29][CH3:30])([CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH2:37][CH3:38])[CH2:39][CH2:40][CH3:41].[CH3:20][C:21]#[N:22].[Cl:1][CH2:2][c:3]1[cH:4][c:5](-[c:9]2[cH:10][cH:11][c:12]([O:15][C:16]([F:17])([F:18])[F:19])[cH:13][cH:14]2)[n:6][n:7]1[CH3:8]>>[CH2:2]([c:3]1[cH:4][c:5](-[c:9]2[cH:10][cH:11][c:12]([O:15][C:16]([F:17])([F:18])[F:19])[cH:13][cH:14]2)[n:6][n:7]1[CH3:8])[C:21]#[N:22]참가 물질
5
출처 및 근거
- ORD 기록
- ord-ebcf59e4b4f3477dbb6e890803d85008
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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