Sodium Ion → 5-Nitro-2-(2,2,2-trifluoroethoxy)benzonitrile
반응식
[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[Cl:6][c:7]1[c:8]([C:9]#[N:10])[cH:11][c:12]([N+:15](=[O:16])[O-:17])[cH:13][cH:14]1.[H-:24].[Na+:25].[OH2:26].[OH:18][CH2:19][C:20]([F:21])([F:22])[F:23]>>[c:7]1([O:18][CH2:19][C:20]([F:21])([F:22])[F:23])[c:8]([C:9]#[N:10])[cH:11][c:12]([N+:15](=[O:16])[O-:17])[cH:13][cH:14]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-12e8588987bc40fea283a024996613f2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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