Acetone → 4-(2-Cyclopropyl-2-oxoethoxy)-2,6-dimethylbenzonitrile
반응식
[Br:18][CH2:19][C:20](=[O:21])[CH:22]1[CH2:23][CH2:24]1.[C:1](=[O:2])([O-:3])[O-:4].[CH3:25][C:26](=[O:27])[CH3:28].[Cs+:5].[Cs+:6].[OH:7][c:8]1[cH:9][c:10]([CH3:17])[c:11]([C:12]#[N:13])[c:14]([CH3:16])[cH:15]1>>[O:7]([c:8]1[cH:9][c:10]([CH3:17])[c:11]([C:12]#[N:13])[c:14]([CH3:16])[cH:15]1)[CH2:19][C:20](=[O:21])[CH:22]1[CH2:23][CH2:24]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-c4c37d8a22964f34b02b6a71c0d41e7c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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