1,2-Dichlorobenzene → Caprolactam
반응식
[C:18]1(=[O:25])[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][NH:24]1.[C:1](=[O:2])([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[N:9]1[C:10](=[O:17])[CH:11]([Cl:16])[CH2:12][CH2:13][CH2:14][CH2:15]1.[Cl:26][c:27]1[cH:28][cH:29][cH:30][cH:31][c:32]1[Cl:33]>>[C:18]1(=[O:25])[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][NH:24]1.[NH:9]1[C:10](=[O:17])[CH:11]([Cl:16])[CH2:12][CH2:13][CH2:14][CH2:15]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-88b62bb78d8e4a84bf3af02e3c216a8d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
반응 노트
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