Water → 2-[4-[(3,5-Dichlorophenyl)sulfanyl]-5-ethyl-3-(hydroxymethyl)-1H-pyrazol-1-yl]ethanol
반응식
[Cl:1][c:2]1[cH:3][c:4]([S:9][c:10]2[c:11]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[n:12][n:13]([CH2:17][CH2:18][OH:19])[c:14]2[CH2:15][CH3:16])[cH:5][c:6]([Cl:8])[cH:7]1.[O:26]1[CH2:27][CH2:28][CH2:29][CH2:30]1.[OH2:25]>>[Cl:1][c:2]1[cH:3][c:4]([S:9][c:10]2[c:11]([CH2:20][OH:21])[n:12][n:13]([CH2:17][CH2:18][OH:19])[c:14]2[CH2:15][CH3:16])[cH:5][c:6]([Cl:8])[cH:7]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-95be170bc1a645698e833d6fff025db7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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