Acetic Acid → 2-bromo-1-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]ethan-1-one
반응식
[Br:15][CH2:16][Br:17].[CH2:1]([O:3][C:4](=[O:2])[c:6]1[n:7]([CH:12]([CH3:13])[CH3:14])[n:8][c:9]([CH3:11])[n:10]1)[CH3:5].[CH2:24]1[O:25][CH2:26][CH2:27][CH2:28]1.[CH3:20][C:21](=[O:22])[OH:23].[Li:18][CH3:19].[OH2:29]>>[O:3]=[C:4]([c:6]1[n:7]([CH:12]([CH3:13])[CH3:14])[n:8][c:9]([CH3:11])[n:10]1)[CH2:16][Br:15]참가 물질
7
출처 및 근거
- ORD 기록
- ord-59091b0eca5f452cbc2acba061dc2fe5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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