Water → 8-(2-Acetaminobenzyl)-3-[2-(4-aminophenyl)ethyl]-1-propylxanthine
Reaction equation
[H:40][H:41].[NH2:38][NH2:39].[NH:1]([C:2](=[O:3])[CH3:4])[c:5]1[c:6]([CH2:7][c:8]2[n:9][c:10]3[n:11]([CH2:22][CH2:23][c:24]4[cH:25][cH:26][c:27]([N+:30]([O-:31])=[O:32])[cH:28][cH:29]4)[c:12](=[O:21])[n:13]([CH2:18][CH2:19][CH3:20])[c:14](=[O:17])[c:15]3[nH:16]2)[cH:33][cH:34][cH:35][cH:36]1.[OH2:37].[Pd:42]>>[NH:1]([C:2](=[O:3])[CH3:4])[c:5]1[c:6]([CH2:7][c:8]2[n:9][c:10]3[n:11]([CH2:22][CH2:23][c:24]4[cH:25][cH:26][c:27]([NH2:30])[cH:28][cH:29]4)[c:12](=[O:21])[n:13]([CH2:18][CH2:19][CH3:20])[c:14](=[O:17])[c:15]3[nH:16]2)[cH:33][cH:34][cH:35][cH:36]1Participants
6
Sources & evidence
- ORD record
- ord-c5af1cc1f3d04de6b9346dec736b8625
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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