4-(Dimethylamino)-1-naphthoic acid → 5-(3,4-Dimethoxyphenyl)-2-(1-{[4-(dimethylamino)naphthalen-1-yl]carbonyl}piperidin-4-yl)-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one
반응식
[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]2=[N:15][N:14]([CH:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[C:13](=[O:22])[C:12]2([CH3:23])[CH3:24])[cH:6][cH:7][c:8]1[O:9][CH3:10].[CH3:25][N:26]([c:27]1[cH:28][cH:29][c:30]([C:37](=[O:38])[OH:39])[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]12)[CH3:40]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]2=[N:15][N:14]([CH:16]3[CH2:17][CH2:18][N:19]([C:37]([c:30]4[cH:29][cH:28][c:27]([N:26]([CH3:25])[CH3:40])[c:36]5[c:31]4[cH:32][cH:33][cH:34][cH:35]5)=[O:38])[CH2:20][CH2:21]3)[C:13](=[O:22])[C:12]2([CH3:23])[CH3:24])[cH:6][cH:7][c:8]1[O:9][CH3:10]참가 물질
3
출처 및 근거
- ORD 기록
- ord-966f93ef543c436b8a3db4c8504255ea
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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