Acetonitrile → 4-chloro-N-ethyl-2-methoxy-5-methyl-7-(trifluoroacetyl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-3-amine
반응식
[CH2:1]([CH3:2])[NH:3][c:4]1[cH:5][c:6]2[c:7]([n:20][c:21]1[O:22][CH3:23])[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].[CH3:32][C:33]#[N:34].[Cl:24][N:25]1[C:26](=[O:27])[CH2:28][CH2:29][C:30]1=[O:31]>>[CH2:1]([CH3:2])[NH:3][c:4]1[c:5]([Cl:24])[c:6]2[c:7]([n:20][c:21]1[O:22][CH3:23])[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
4
출처 및 근거
- ORD 기록
- ord-0a6a0398c83b40a4974ddd7d7b474c86
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
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