Ethyl Acetate → {2-Ethyl-1-[1-(4-fluorobenzyl)-1H-1,2,4-triazol-5-yl]butyl}amine
반응식
[CH3:23][CH2:24][O:25][C:26]([CH3:27])=[O:28].[N:1](=[N+:2]=[N-:3])[CH:4]([CH:5]([CH2:6][CH3:7])[CH2:8][CH3:9])[c:10]1[n:11][cH:12][n:13][n:14]1[CH2:15][c:16]1[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]1>>[NH2:1][CH:4]([CH:5]([CH2:6][CH3:7])[CH2:8][CH3:9])[c:10]1[n:11][cH:12][n:13][n:14]1[CH2:15][c:16]1[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-892ba9a8c25448dea551afd4ce1142f6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
반응 노트
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