Hydroxide → 4-Cyano-2-methylbenzoic acid
반응식
[CH3:1][O:2][C:3]([c:4]1[c:5]([CH3:12])[cH:6][c:7]([C:10]#[N:11])[cH:8][cH:9]1)=[O:13].[Li+:16].[O:18]1[CH2:19][CH2:20][CH2:21][CH2:22]1.[OH-:15].[OH2:14].[OH2:17]>>[O:2]=[C:3]([c:4]1[c:5]([CH3:12])[cH:6][c:7]([C:10]#[N:11])[cH:8][cH:9]1)[OH:13]참가 물질
6
출처 및 근거
- ORD 기록
- ord-a1a6414961634f12a1710654092b21c4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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