Dimethyl Sulfoxide → 5-Bromo-2-(4-methyl-piperazin-1-yl)-benzonitrile
반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]([F:10])[c:6]([C:7]#[N:8])[cH:9]1.[C:11](=[O:12])([O-:13])[O-:14].[CH3:17][N:18]1[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]1.[CH3:24][S:25]([CH3:26])=[O:27].[Cs+:15].[Cs+:16]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([N:21]2[CH2:20][CH2:19][N:18]([CH3:17])[CH2:23][CH2:22]2)[c:6]([C:7]#[N:8])[cH:9]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-d58d2088d3c641bdabc9c7ae7784219b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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