Ethanol → 4-Carboxy-5-methyl-3-(2-iodo-6-fluoro-phenyl)isoxazole
반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7](-[c:12]2[c:13]([I:19])[cH:14][cH:15][cH:16][c:17]2[F:18])[n:8][o:9][c:10]1[CH3:11].[CH3:23][CH2:24][OH:25].[Na+:21].[OH-:20].[OH2:22]>>[O:3]=[C:4]([OH:5])[c:6]1[c:7](-[c:12]2[c:13]([I:19])[cH:14][cH:15][cH:16][c:17]2[F:18])[n:8][o:9][c:10]1[CH3:11]참가 물질
6
출처 및 근거
- ORD 기록
- ord-d358b7b7c8024e13a7e745d156590524
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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