Ethanol → 4-((4-(4-chlorophenoxy)phenylthio)methyl)tetrahydro-2H-pyran-4-carboxylic acid
반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([CH2:12][S:13][c:14]2[cH:15][cH:16][c:17]([O:20][c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[cH:18][cH:19]2)[CH2:7][CH2:8][O:9][CH2:10][CH2:11]1.[CH3:31][CH2:32][OH:33].[K+:30].[OH-:29].[OH2:28]>>[O:3]=[C:4]([OH:5])[C:6]1([CH2:12][S:13][c:14]2[cH:15][cH:16][c:17]([O:20][c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[cH:18][cH:19]2)[CH2:7][CH2:8][O:9][CH2:10][CH2:11]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-907749701a904dce919e4b6f86af3961
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
반응 노트
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