Water → 2,6-Difluoro-4-formylbenzonitrile
반응식
[CH2:23]1[O:24][CH2:25][CH2:26][CH2:27]1.[F:1][c:2]1[c:3]([C:4]#[N:5])[c:6]([F:16])[cH:7][c:8]([CH:10]([S:11]([CH3:12])=[O:13])[S:14][CH3:15])[cH:9]1.[OH2:22].[S:17]([OH:18])(=[O:19])(=[O:20])[OH:21]>>[F:1][c:2]1[c:3]([C:4]#[N:5])[c:6]([F:16])[cH:7][c:8]([CH:10]=[O:18])[cH:9]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-b327e77ac6404124ad82a541a23b40b8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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