Ethanol → 4-Methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]pyrazol-3-yl]amino]pentanoic acid
反応式
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[n:9][c:10]([NH:32][CH:33]([CH2:34][CH:35]([CH3:36])[CH3:37])[C:38](=[O:39])[O:40][CH2:41][c:42]2[cH:43][cH:44][c:45]([O:46][CH3:47])[cH:48][cH:49]2)[c:11](-[c:13]2[cH:14][cH:15][c:16]([N:19]3[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]3)[cH:17][cH:18]2)[cH:12]1.[CH3:50][CH2:51][OH:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[n:9][c:10]([NH:32][CH:33]([CH2:34][CH:35]([CH3:36])[CH3:37])[C:38](=[O:39])[OH:40])[c:11](-[c:13]2[cH:14][cH:15][c:16]([N:19]3[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]3)[cH:17][cH:18]2)[cH:12]1参加物
3
反応物 2
生成物 1
出典と根拠
- ORDレコード
- ord-04ea933d99b442eca32d255144ed284f
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)