Trifluoroacetic acid → 4-[2-(1,1-dimethylethyl)-2H-tetrazole-5-yl]benzenepropanoic acid
반응식
[CH3:1][C:2]([CH3:3])([O:4][C:5]([CH2:6][CH2:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][n:16][n:17]([C:19]([CH3:20])([CH3:21])[CH3:22])[n:18]2)[cH:12][cH:13]1)=[O:23])[CH3:24].[OH:25][C:26]([C:27]([F:28])([F:29])[F:30])=[O:31]>>[O:4]=[C:5]([CH2:6][CH2:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][n:16][n:17]([C:19]([CH3:20])([CH3:21])[CH3:22])[n:18]2)[cH:12][cH:13]1)[OH:23]참가 물질
3
출처 및 근거
- ORD 기록
- ord-1762d6c28d244d349c9215124e7d0efa
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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