Water → 3-[2-(4-Aminophenyl)ethyl]-8-(4-fluorobenzyl)-1-propylxanthine
Reaction equation
[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8][c:9]3[n:10]([CH2:21][CH2:22][c:23]4[cH:24][cH:25][c:26]([N+:29]([O-:30])=[O:31])[cH:27][cH:28]4)[c:11](=[O:20])[n:12]([CH2:17][CH2:18][CH3:19])[c:13](=[O:16])[c:14]3[nH:15]2)[cH:32][cH:33]1.[H:37][H:38].[NH2:35][NH2:36].[OH2:34].[Pd:39]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8][c:9]3[n:10]([CH2:21][CH2:22][c:23]4[cH:24][cH:25][c:26]([NH2:29])[cH:27][cH:28]4)[c:11](=[O:20])[n:12]([CH2:17][CH2:18][CH3:19])[c:13](=[O:16])[c:14]3[nH:15]2)[cH:32][cH:33]1Participants
6
Sources & evidence
- ORD record
- ord-694ce84196af4510afd2694108a61ba3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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