Ethanol → N-(3-Nitro-2,4-dimethyl-benzyl)-2,2,2-trifluoroacetamide
반응식
[CH3:10][c:11]1[c:12]([N+:18](=[O:19])[O-:20])[c:13]([CH3:17])[cH:14][cH:15][cH:16]1.[CH3:30][CH2:31][OH:32].[Cl:27][CH2:28][Cl:29].[OH2:26].[OH:1][CH2:2][NH:3][C:4]([C:5]([F:6])([F:7])[F:8])=[O:9].[S:21](=[O:22])(=[O:23])([OH:24])[OH:25]>>[CH2:2]([NH:3][C:4]([C:5]([F:6])([F:7])[F:8])=[O:9])[c:16]1[c:11]([CH3:10])[c:12]([N+:18](=[O:19])[O-:20])[c:13]([CH3:17])[cH:14][cH:15]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-8b9683a15d3a4c36875b0237bb8a7ec5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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