Water → 7-(But-2-YN-1-YL)-8-chloro-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Reaction equation
[CH2:1]([C:2]#[C:3][CH3:4])[n:5]1[cH:6][n:7][c:8]2[n:9]([CH3:16])[c:10](=[O:15])[nH:11][c:12](=[O:14])[c:13]12.[CH3:26][N:27]([CH3:28])[CH:29]=[O:30].[Cl:17][N:18]1[C:19](=[O:20])[CH2:21][CH2:22][C:23]1=[O:24].[OH2:25]>>[CH2:1]([C:2]#[C:3][CH3:4])[n:5]1[c:6]([Cl:17])[n:7][c:8]2[n:9]([CH3:16])[c:10](=[O:15])[nH:11][c:12](=[O:14])[c:13]12Participants
5
Sources & evidence
- ORD record
- ord-2cd910fc803f4e10ab487f67d6576706
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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