Water → 3-[2-(4-Aminophenyl)ethyl]-1-propyl-8-[(3-pyridyl)methyl]xanthine
Reaction equation
[H:36][H:37].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([CH2:10][CH2:11][n:12]2[c:13](=[O:32])[n:14]([CH2:29][CH2:30][CH3:31])[c:15](=[O:28])[c:16]3[nH:17][c:18]([CH2:21][c:22]4[cH:23][n:24][cH:25][cH:26][cH:27]4)[n:19][c:20]23)[cH:8][cH:9]1.[NH2:34][NH2:35].[OH2:33].[Pd:38]>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([CH2:10][CH2:11][n:12]2[c:13](=[O:32])[n:14]([CH2:29][CH2:30][CH3:31])[c:15](=[O:28])[c:16]3[nH:17][c:18]([CH2:21][c:22]4[cH:23][n:24][cH:25][cH:26][cH:27]4)[n:19][c:20]23)[cH:8][cH:9]1Participants
6
Sources & evidence
- ORD record
- ord-61aa0c1670a144259bce00978442dc41
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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