Methyl-(3-piperidin-1-yl-propyl)-amine → 1-Isopropoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinoline-6-carboxylic acid methyl-(3-piperidin-1-yl-propyl)-amide
반응식
[CH3:25][NH:26][CH2:27][CH2:28][CH2:29][N:30]1[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1.[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[n:6][c:7]([NH:18][c:19]2[n:20][nH:21][c:22]([CH3:24])[cH:23]2)[cH:8][c:9]2[cH:10][c:11]([C:15](=[O:16])[OH:17])[cH:12][cH:13][c:14]12>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[n:6][c:7]([NH:18][c:19]2[n:20][nH:21][c:22]([CH3:24])[cH:23]2)[cH:8][c:9]2[cH:10][c:11]([C:15](=[O:17])[N:26]([CH3:25])[CH2:27][CH2:28][CH2:29][N:30]3[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]3)[cH:12][cH:13][c:14]12참가 물질
3
출처 및 근거
- ORD 기록
- ord-5916aca1b56446349149cab73f931c5f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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