Hydroxide → 2-Chloro-3-(1-cyano-1-methylethyl)benzoic acid
반응식
[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][cH:9][cH:10][c:11]1[C:12]([CH3:13])([CH3:14])[C:15]#[N:16].[Li+:19].[O:20]1[CH2:21][CH2:22][CH2:23][CH2:24]1.[OH-:18].[OH2:17]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:8][cH:9][cH:10][c:11]1[C:12]([CH3:13])([CH3:14])[C:15]#[N:16]참가 물질
6
출처 및 근거
- ORD 기록
- ord-1e748a67bf8b409b851913578a268486
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
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