1,2-Dichloroethane → Tonalide
반응식
[Al+3:22].[CH3:17][C:18]([Cl:19])=[O:20].[CH3:1][C:2]1([CH3:16])[CH2:3][CH:4]([CH3:15])[C:5]([CH3:13])([CH3:14])[c:6]2[cH:7][c:8]([CH3:12])[cH:9][cH:10][c:11]21.[Cl-:21].[Cl-:23].[Cl-:24].[Cl:26][CH2:27][CH2:28][Cl:29].[ClH:25]>>[CH3:1][C:2]1([CH3:16])[CH2:3][CH:4]([CH3:15])[C:5]([CH3:13])([CH3:14])[c:6]2[cH:7][c:8]([CH3:12])[c:9]([C:18]([CH3:17])=[O:20])[cH:10][c:11]21참가 물질
7
출처 및 근거
- ORD 기록
- ord-dfc1499815184679a1efc4d31383d3fc
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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