Acetonitrile → 3-chloro-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-(hydroxymethyl)pyridin-2(1H)-one
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[CH3:36][C:37]#[N:38].[Cl:28][N:29]1[C:30](=[O:31])[CH2:32][CH2:33][C:34]1=[O:35].[F:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[cH:7][c:8](=[O:22])[n:9](-[c:14]3[c:15]([F:21])[cH:16][cH:17][cH:18][c:19]3[F:20])[c:10]([CH2:12][OH:13])[cH:11]2)[cH:23][cH:24][c:25]([F:27])[cH:26]1>>[F:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[c:7]([Cl:28])[c:8](=[O:22])[n:9](-[c:14]3[c:15]([F:21])[cH:16][cH:17][cH:18][c:19]3[F:20])[c:10]([CH2:12][OH:13])[cH:11]2)[cH:23][cH:24][c:25]([F:27])[cH:26]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-c815cb05644c4250b77c9cb768f80c89
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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