ethyl 2-(1-(4-(difluoromethoxy)benzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methylthiazole-5-carboxylate → 2-(1-(4-(difluoromethoxy)benzyl)-5-oxo-1,2,4-triazol-4(5H)-yl)-4-methylthiazole-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].[F:29][CH:30]([O:31][c:32]1[cH:33][cH:34][c:35]([CH2:36][n:37]2[n:38][cH:39][n:40](-[c:43]3[s:44][c:45]([C:49](=[O:50])[O:51][CH2:52][CH3:53])[c:46]([CH3:48])[n:47]3)[c:41]2=[O:42])[cH:54][cH:55]1)[F:56]>>[F:29][CH:30]([O:31][c:32]1[cH:33][cH:34][c:35]([CH2:36][n:37]2[n:38][cH:39][n:40](-[c:43]3[s:44][c:45]([C:49](=[O:50])[OH:51])[c:46]([CH3:48])[n:47]3)[c:41]2=[O:42])[cH:54][cH:55]1)[F:56]참가 물질
3
반응물 2
생성물 1
출처 및 근거
- ORD 기록
- ord-e10bb133039d4e8d9fb49b034a1a2800
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)