Chloride → 1-(4,4-Dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethan-1-one
반응식
[Al+3:2].[CH3:5][C:6]([Cl:7])=[O:8].[CH3:9][C:10]1([CH3:20])[CH2:11][CH2:12][O:13][c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]21.[Cl-:1].[Cl-:3].[Cl-:4].[ClH:21].[S:22]=[C:23]=[S:24]>>[CH3:5][C:6](=[O:8])[c:17]1[cH:16][cH:15][c:14]2[c:19]([cH:18]1)[C:10]([CH3:9])([CH3:20])[CH2:11][CH2:12][O:13]2참가 물질
7
출처 및 근거
- ORD 기록
- ord-be39cbb236534af4930fb76711ca871b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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