Ethanol → 9-Ethyl-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocyclohepten-3-ylamine
반응식
[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][CH2:6][O:7][c:8]2[c:9]1[cH:10][cH:11][c:12]([N+:14]([O-:15])=[O:16])[cH:13]2.[CH3:19][CH2:20][OH:21].[H:17][H:18]>>[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][CH2:6][O:7][c:8]2[c:9]1[cH:10][cH:11][c:12]([NH2:14])[cH:13]2참가 물질
4
출처 및 근거
- ORD 기록
- ord-1ec91b95870945a08428841ad10f06a7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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