ethyl 4-methyl-2-(5-oxo-1-(4,4,4-trifluorobutyl)-1H-1,2,4-triazol-4(5H)-yl)thiazole-5-carboxylate → 4-methyl-2-(5-oxo-1-(4,4,4-trifluorobutyl)-1H-1,2,4-triazol-4(5H)-yl)thiazole-5-carboxylic acid
반응식
[CH3:1][c:2]1[n:3][c:4](-[n:5]2[c:6](=[O:7])[n:8]([CH2:9][c:10]3[cH:11][cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18][cH:19]3)[n:20][cH:21]2)[s:22][c:23]1[C:24]([O:25][CH2:26][CH3:27])=[O:28].[CH3:29][c:30]1[n:31][c:32](-[n:40]2[cH:41][n:42][n:43]([CH2:46][CH2:47][CH2:48][C:49]([F:50])([F:51])[F:52])[c:44]2=[O:45])[s:33][c:34]1[C:35](=[O:36])[O:37][CH2:38][CH3:39]>>[CH3:29][c:30]1[n:31][c:32](-[n:40]2[cH:41][n:42][n:43]([CH2:46][CH2:47][CH2:48][C:49]([F:50])([F:51])[F:52])[c:44]2=[O:45])[s:33][c:34]1[C:35](=[O:36])[OH:37]참가 물질
3
반응물 2
생성물 1
출처 및 근거
- ORD 기록
- ord-7db1b1758f364d4f8482bed1e9365a9b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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