Methanol → 3-ethyl-2-methoxy-5-methyl-7-(trifluoroacetyl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
반응식
[CH3:1][O:2][c:3]1[c:4]([CH:21]=[CH2:22])[cH:5][c:6]2[c:7]([n:20]1)[CH2:8][CH2:9][N:10]([C:14]([C:15]([F:16])([F:17])[F:18])=[O:19])[CH2:11][CH:12]2[CH3:13].[CH3:23][OH:24]>>[CH3:1][O:2][c:3]1[c:4]([CH2:21][CH3:22])[cH:5][c:6]2[c:7]([n:20]1)[CH2:8][CH2:9][N:10]([C:14]([C:15]([F:16])([F:17])[F:18])=[O:19])[CH2:11][CH:12]2[CH3:13]참가 물질
3
출처 및 근거
- ORD 기록
- ord-007248bc02584a8288a47b3cd20222bb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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