Methanol → N-[2-(3,5-dimethyl-pyrazol-1-yl)-9-methyl-9H-purin-6-yl]-benzene-1,4-diamine
Reaction equation
[CH3:1][c:2]1[n:3][n:4](-[c:8]2[n:9][c:10]([NH:18][c:19]3[cH:20][cH:21][c:22]([N+:25]([O-:26])=[O:27])[cH:23][cH:24]3)[c:11]3[n:12][cH:13][n:14]([CH3:17])[c:15]3[n:16]2)[c:5]([CH3:7])[cH:6]1.[CH3:28][OH:29].[Cl:30][CH2:31][Cl:32]>>[CH3:1][c:2]1[n:3][n:4](-[c:8]2[n:9][c:10]([NH:18][c:19]3[cH:20][cH:21][c:22]([NH2:25])[cH:23][cH:24]3)[c:11]3[n:12][cH:13][n:14]([CH3:17])[c:15]3[n:16]2)[c:5]([CH3:7])[cH:6]1Participants
4
Sources & evidence
- ORD record
- ord-04ff29f852df42c3b13573171289fc38
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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