1-Methyl-4-(piperidin-4-yl)piperazine → 2-[[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butane-1,4-dione
反応式
[CH3:38][N:39]1[CH2:40][CH2:41][N:42]([CH:45]2[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]2)[CH2:43][CH2:44]1.[NH2:1][c:2]1[c:3]([Cl:37])[cH:4][c:5]([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[CH2:11][C:12]([N:13]2[CH2:14][CH2:15][CH:16]([N:19]3[C:20](=[O:29])[NH:21][c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[CH2:28]3)[CH2:17][CH2:18]2)=[O:30])[cH:31][c:32]1[C:33]([F:34])([F:35])[F:36]>>[NH2:1][c:2]1[c:3]([Cl:37])[cH:4][c:5]([CH2:6][CH:7]([C:8](=[O:10])[N:48]2[CH2:47][CH2:46][CH:45]([N:42]3[CH2:41][CH2:40][N:39]([CH3:38])[CH2:44][CH2:43]3)[CH2:50][CH2:49]2)[CH2:11][C:12]([N:13]2[CH2:14][CH2:15][CH:16]([N:19]3[C:20](=[O:29])[NH:21][c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[CH2:28]3)[CH2:17][CH2:18]2)=[O:30])[cH:31][c:32]1[C:33]([F:34])([F:35])[F:36]参加物
3
反応物 2
生成物 1
出典と根拠
- ORDレコード
- ord-a3eff404c4f740789a352c874ed0ac63
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
- DOI