Water → 3-[2-(4-Aminophenyl)ethyl]-1-propyl-8-[(thiophen-2-yl)methyl]xanthine
Reaction equation
[H:35][H:36].[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:31])[n:14]([CH2:28][CH2:29][CH3:30])[c:15](=[O:27])[c:16]3[nH:17][c:18]([CH2:21][c:22]4[s:23][cH:24][cH:25][cH:26]4)[n:19][c:20]23)[cH:8][cH:9]1.[NH2:33][NH2:34].[OH2:32].[Pd:37]>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([CH2:10][CH2:11][n:12]2[c:13](=[O:31])[n:14]([CH2:28][CH2:29][CH3:30])[c:15](=[O:27])[c:16]3[nH:17][c:18]([CH2:21][c:22]4[s:23][cH:24][cH:25][cH:26]4)[n:19][c:20]23)[cH:8][cH:9]1Participants
6
Sources & evidence
- ORD record
- ord-53a8ede88fa44b0fbfb448eb5aa4238f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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