Chloride → methyl 2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoate
반응식
[Al+3:20].[CH2:23]([SH:24])[CH3:25].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:9]([cH:10][cH:11]1)[CH:8]([CH:12]([C:13](=[O:14])[O:15][CH3:16])[CH2:17][CH3:18])[CH2:7][CH2:6]2.[Cl-:19].[Cl-:21].[Cl-:22].[Cl:26][CH2:27][Cl:28]>>[OH:2][c:3]1[cH:4][c:5]2[c:9]([cH:10][cH:11]1)[CH:8]([CH:12]([C:13](=[O:14])[O:15][CH3:16])[CH2:17][CH3:18])[CH2:7][CH2:6]2참가 물질
6
출처 및 근거
- ORD 기록
- ord-33c52844e0434366af4c5ca1494b7b95
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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