1,2-Dichloroethane → 2,3,4,5-Tetrahydro-1-benzoxepin-5-one
반응식
[Al+3:23].[Cl-:20].[Cl-:21].[Cl-:22].[Cl:14][C:15]([C:16]([Cl:17])=[O:18])=[O:19].[Cl:25][CH2:26][Cl:27].[Cl:28][CH2:29][CH2:30][Cl:31].[ClH:24].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][CH2:10][C:11](=[O:12])[OH:13].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36]>>[O:1]1[c:2]2[cH:3][cH:4][cH:5][cH:6][c:7]2[C:11](=[O:13])[CH2:10][CH2:9][CH2:8]1참가 물질
9
출처 및 근거
- ORD 기록
- ord-b3b9906f7342469da152442f1a0a7aa1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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