Propylenediamine → 6-[4-(2-Trifluoromethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid (2-aminopropyl)amide
반응식
[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][n:7][c:8]([N:11]2[CH2:12][CH2:13][N:14]([C:17]([c:18]3[c:19]([C:24]([F:25])([F:26])[F:27])[cH:20][cH:21][cH:22][cH:23]3)=[O:28])[CH2:15][CH2:16]2)[cH:9][cH:10]1.[CH3:29][CH:30]([NH2:31])[CH2:32][NH2:33]>>[C:3](=[O:4])([c:5]1[n:6][n:7][c:8]([N:11]2[CH2:12][CH2:13][N:14]([C:17]([c:18]3[c:19]([C:24]([F:25])([F:26])[F:27])[cH:20][cH:21][cH:22][cH:23]3)=[O:28])[CH2:15][CH2:16]2)[cH:9][cH:10]1)[NH:33][CH2:32][CH:30]([CH3:29])[NH2:31]참가 물질
3
출처 및 근거
- ORD 기록
- ord-77dd0726a1cf404da3c357dfe46c5418
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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