Water → 1,3-Dimethyl-7-[4-[6-(4-piperidinopiperidino)-nicotinoyl]benzyl]xanthine
Reaction equation
[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([CH2:12][n:13]3[cH:14][n:15][c:16]4[n:17]([CH3:25])[c:18](=[O:24])[n:19]([CH3:23])[c:20](=[O:22])[c:21]34)[cH:26][cH:27]2)[cH:28][cH:29]1.[N:30]1([CH:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1.[OH2:48].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[c:2]1([N:39]2[CH2:38][CH2:37][CH:36]([N:30]3[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]3)[CH2:41][CH2:40]2)[n:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([CH2:12][n:13]3[cH:14][n:15][c:16]4[n:17]([CH3:25])[c:18](=[O:24])[n:19]([CH3:23])[c:20](=[O:22])[c:21]34)[cH:26][cH:27]2)[cH:28][cH:29]1Participants
5
Sources & evidence
- ORD record
- ord-d350f587790f4131b58d01bd80de0bb8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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