Water → 3-[2-(4-Aminophenyl)ethyl]-8-benzyl-1-(3-methoxypropyl)xanthine
Reaction equation
[CH2:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[c:16]1[n:17][c:18]2[n:19]([CH2:32][CH2:33][c:34]3[cH:35][cH:36][c:37]([N+:40]([O-:41])=[O:42])[cH:38][cH:39]3)[c:20](=[O:31])[n:21]([CH2:26][CH2:27][CH2:28][O:29][CH3:30])[c:22](=[O:25])[c:23]2[nH:24]1.[CH3:1][O:2][CH2:3][CH2:4][CH2:5][N:6]=[C:7]=[O:8].[H:46][H:47].[NH2:44][NH2:45].[OH2:43].[Pd:48]>>[CH2:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[c:16]1[n:17][c:18]2[n:19]([CH2:32][CH2:33][c:34]3[cH:35][cH:36][c:37]([NH2:40])[cH:38][cH:39]3)[c:20](=[O:31])[n:21]([CH2:26][CH2:27][CH2:28][O:29][CH3:30])[c:22](=[O:25])[c:23]2[nH:24]1Participants
7
Sources & evidence
- ORD record
- ord-c7f1255d7d2f47efaf84152fe4ce5810
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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