Pyridine → N-[4-[(3-Bromophenyl)amino]-3-cyano-6-quinolinyl]-4-diethylamino-2-butynamide
Reaction equation
[CH2:9]([CH3:10])[N:11]([CH2:12][C:13]#[C:14][C:15](=[O:16])[OH:17])[CH2:18][CH3:19].[CH3:20][N:21]1[CH2:22][CH2:23][O:24][CH2:25][CH2:26]1.[Cl:1][C:2]([O:3][CH2:4][CH:5]([CH3:6])[CH3:7])=[O:8].[NH2:27][c:28]1[cH:29][c:30]2[c:31]([NH:40][c:41]3[cH:42][c:43]([Br:47])[cH:44][cH:45][cH:46]3)[c:32]([C:38]#[N:39])[cH:33][n:34][c:35]2[cH:36][cH:37]1.[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1>>[CH2:9]([CH3:10])[N:11]([CH2:12][C:13]#[C:14][C:15](=[O:17])[NH:27][c:28]1[cH:29][c:30]2[c:31]([NH:40][c:41]3[cH:42][c:43]([Br:47])[cH:44][cH:45][cH:46]3)[c:32]([C:38]#[N:39])[cH:33][n:34][c:35]2[cH:36][cH:37]1)[CH2:18][CH3:19]Participants
6
Sources & evidence
- ORD record
- ord-e436d4a7847541aca1f9c684bd644c4d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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