Ethanol → 2,4-Bis(trifluoromethyl)benzonitrile
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[C-:6]#[N:7].[CH3:25][CH2:26][OH:27].[F:9][C:10]([c:11]1[c:12]([CH2:13][Br:14])[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1)([F:23])[F:24].[Na+:8].[O-:1][P:2](=[O:3])([O-:4])[O-:5]>>[N:7]#[C:13][c:12]1[c:11]([C:10]([F:9])([F:23])[F:24])[cH:18][c:17]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:15]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-4d4447806c774507a78dba38779143df
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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