Benzene → 1-(4,4,7,7-Tetramethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethan-1-one
반응식
[CH3:14][C:15]([Cl:16])=[O:17].[CH3:1][C:2]1([CH3:13])[CH2:3][CH2:4][C:5]([CH3:11])([CH3:12])[c:6]2[s:7][cH:8][cH:9][c:10]21.[ClH:23].[OH2:30].[Sn:18]([Cl:19])([Cl:20])([Cl:21])[Cl:22].[cH:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[CH3:1][C:2]1([CH3:13])[CH2:3][CH2:4][C:5]([CH3:11])([CH3:12])[c:6]2[s:7][c:8]([C:15]([CH3:14])=[O:17])[cH:9][c:10]21참가 물질
7
출처 및 근거
- ORD 기록
- ord-7be30c75743f426f9408c56f03929efc
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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