1-Heptanamine → 5-[4-(2-Trifluoromethylbenzoyl)piperazin-1-YL]-[1,3,4]thiadiazole-2-carboxylic acid heptylamide
반응식
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[NH2:8].[CH2:9]([O:11][C:12](=[O:10])[c:14]1[s:15][c:16]([N:19]2[CH2:20][CH2:21][N:22]([C:25]([c:26]3[c:27]([C:32]([F:33])([F:34])[F:35])[cH:28][cH:29][cH:30][cH:31]3)=[O:36])[CH2:23][CH2:24]2)[n:17][n:18]1)[CH3:13]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[NH:8][C:12](=[O:11])[c:14]1[s:15][c:16]([N:19]2[CH2:20][CH2:21][N:22]([C:25]([c:26]3[c:27]([C:32]([F:33])([F:34])[F:35])[cH:28][cH:29][cH:30][cH:31]3)=[O:36])[CH2:23][CH2:24]2)[n:17][n:18]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-d65786fe415141b1955cf9be4b3d4314
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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