(3-Chloropropanesulfonyl)benzene → 1-[3-(1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dion-7-yl)-2-hydroxypropyl]-4-(3-phenylsulfonylpropyl)piperazine
Reaction equation
[CH3:14][n:15]1[c:16](=[O:36])[n:17]([CH3:35])[c:18]2[n:19][cH:20][n:21]([CH2:25][CH:26]([CH2:27][N:28]3[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]3)[OH:34])[c:22]2[c:23]1=[O:24].[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:31]2[CH2:30][CH2:29][N:28]([CH2:27][CH:26]([CH2:25][n:21]3[cH:20][n:19][c:18]4[n:17]([CH3:35])[c:16](=[O:36])[n:15]([CH3:14])[c:23](=[O:24])[c:22]43)[OH:34])[CH2:33][CH2:32]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
3
Sources & evidence
- ORD record
- ord-e1a37fed4f42486a85fb79b2754e3979
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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