Hydrochloric Acid → 1-[3-(1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dion-7-yl)-2-hydroxypropyl]-4-(3-phenylsulfonylpropyl)piperazine
Reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH3:16][n:17]1[c:18](=[O:38])[n:19]([CH3:37])[c:20]2[n:21][cH:22][n:23]([CH2:27][CH:28]([CH2:29][N:30]3[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]3)[OH:36])[c:24]2[c:25]1=[O:26].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[ClH:14].[ClH:15].[K+:43].[K+:44].[OH2:45].[c:1]1([S:7](=[O:8])(=[O:9])[CH2:10][CH2:11][CH2:12][Cl:13])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[CH2:10][CH2:11][CH2:12][N:33]2[CH2:32][CH2:31][N:30]([CH2:29][CH:28]([CH2:27][n:23]3[cH:22][n:21][c:20]4[n:19]([CH3:37])[c:18](=[O:38])[n:17]([CH3:16])[c:25](=[O:26])[c:24]43)[OH:36])[CH2:35][CH2:34]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-e530eff72b2c447aa9172de0e5a5128f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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