Methanol → 1-cyclohexyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8][n:9]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:10]1[C:11]([F:12])([F:13])[F:14].[CH3:24][OH:25].[Li+:22].[OH-:23].[OH2:21]>>[O:3]=[C:4]([OH:5])[c:6]1[cH:7][n:8][n:9]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:10]1[C:11]([F:12])([F:13])[F:14]참가 물질
6
출처 및 근거
- ORD 기록
- ord-86b6b469a36449e388a3b78150d4400a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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