Acetic Acid → 5-Fluoro-2-methyl-1-(p-methylsulfinylbenzyl)-indene
반응식
[CH3:27][C:28](=[O:29])[OH:30].[CH:21]([Cl:22])([Cl:23])[Cl:24].[F:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[CH:7]([CH2:11][c:12]1[cH:13][cH:14][c:15]([S:18][CH3:19])[cH:16][cH:17]1)[C:6]([CH3:20])=[CH:5]2.[OH:25][OH:26]>>[F:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[CH:7]([CH2:11][c:12]1[cH:13][cH:14][c:15]([S:18]([CH3:19])=[O:25])[cH:16][cH:17]1)[C:6]([CH3:20])=[CH:5]2참가 물질
5
출처 및 근거
- ORD 기록
- ord-2aa279e39f5e4b8a91477965df9b7b9f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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