Ethanol → 4-Ethylthio-5-methyl-6-carboxy-8-chlorothiochroman
반응식
[CH2:1]([CH3:2])[S:3][CH:4]1[CH2:5][CH2:6][S:7][c:8]2[c:9]([Cl:20])[cH:10][c:11]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[c:12]([CH3:14])[c:13]21.[CH3:23][CH2:24][OH:25].[K+:22].[OH-:21].[OH2:26]>>[CH2:1]([CH3:2])[S:3][CH:4]1[CH2:5][CH2:6][S:7][c:8]2[c:9]([Cl:20])[cH:10][c:11]([C:15](=[O:16])[OH:17])[c:12]([CH3:14])[c:13]21참가 물질
6
출처 및 근거
- ORD 기록
- ord-ed4b1b7060f64e75a62b81e8b440178e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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