Isopropanol → 2-ethyl-2H-indazole-4-carbaldehyde
반응식
[CH2:1]([CH3:2])[n:3]1[n:4][c:5]2[cH:6][cH:7][cH:8][c:9]([CH2:12][OH:13])[c:10]2[cH:11]1.[CH3:14][N+:15]1([O-:16])[CH2:17][CH2:18][O:19][CH2:20][CH2:21]1.[CH3:22][C:23]#[N:24].[CH3:25][CH:26]([OH:27])[CH3:28]>>[CH2:1]([CH3:2])[n:3]1[n:4][c:5]2[cH:6][cH:7][cH:8][c:9]([CH:12]=[O:13])[c:10]2[cH:11]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-e902b41b529640bf8f60dc50ce4bb418
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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