Acetic Acid → 4-(4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-on-1-yl)-3-fluorothiophenol
반응식
[CH3:28][C:29](=[O:30])[OH:31].[Cl-:27].[ClH:1].[F:5][CH:6]([n:7]1[c:8]([CH3:24])[n:9][n:10](-[c:13]2[c:14]([F:23])[cH:15][c:16]([S:19]([Cl:20])(=[O:21])=[O:22])[cH:17][cH:18]2)[c:11]1=[O:12])[F:25].[Na+:26].[Sn:2]([Cl:3])[Cl:4]>>[F:5][CH:6]([n:7]1[c:8]([CH3:24])[n:9][n:10](-[c:13]2[c:14]([F:23])[cH:15][c:16]([SH:19])[cH:17][cH:18]2)[c:11]1=[O:12])[F:25]참가 물질
7
반응물 6
생성물 1
출처 및 근거
- ORD 기록
- ord-25a69e53f79f4944802c672611f58281
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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