Ethanol → N-(3-aminopropyl)-N-[1-(3-benzylquinolin-2-yl)-2-methylpropyl]-3-fluoro-4-methylbenzamide
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([CH:18]([CH:19]([CH3:20])[CH3:21])[N:22]([C:23]([c:24]2[cH:25][c:26]([F:31])[c:27]([CH3:30])[cH:28][cH:29]2)=[O:32])[CH2:33][CH2:34][CH2:35][N:36]2[C:37](=[O:38])[c:39]3[c:40]([cH:41][cH:42][cH:43][cH:44]3)[C:45]2=[O:46])[n:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[cH:17]1.[CH3:49][CH2:50][OH:51].[NH2:47][NH2:48]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([CH:18]([CH:19]([CH3:20])[CH3:21])[N:22]([C:23]([c:24]2[cH:25][c:26]([F:31])[c:27]([CH3:30])[cH:28][cH:29]2)=[O:32])[CH2:33][CH2:34][CH2:35][NH2:36])[n:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[cH:17]1Participants
4
Sources & evidence
- ORD record
- ord-7f64101c87d848d29edb3b2d2b5dc99e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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