Acetic Acid → 6-(1-aminoethyl)-3,3-dimethylbenzo[c][1,2]oxaborol-1(3H)-ol
반응식
[C:17]([OH:18])(=[O:19])[CH3:20].[OH:1][B:2]1[O:3][C:4]([CH3:15])([CH3:16])[c:5]2[c:6]1[cH:7][c:8]([C:11]([CH3:12])=[N:13][OH:14])[cH:9][cH:10]2.[Zn:21]>>[OH:1][B:2]1[O:3][C:4]([CH3:15])([CH3:16])[c:5]2[c:6]1[cH:7][c:8]([CH:11]([CH3:12])[NH2:13])[cH:9][cH:10]2참가 물질
4
출처 및 근거
- ORD 기록
- ord-bdb4eee5872b45adbe0180300554ccd6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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