3,5-Dimethylphenylboronic acid → N6-(2-{[7-(3,5-Dimethylphenyl)[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino}ethyl)-3-nitropyridine-2,6-diamine
Reaction equation
[CH3:25][c:26]1[cH:27][c:28]([B:33]([OH:34])[OH:35])[cH:29][c:30]([CH3:32])[cH:31]1.[Cl:1][c:2]1[cH:3][c:4]2[n:5]([c:6]([NH:8][CH2:9][CH2:10][NH:11][c:12]3[cH:13][cH:14][c:15]([N+:19](=[O:20])[O-:21])[c:16]([NH2:18])[n:17]3)[n:7]1)[n:22][cH:23][n:24]2>>[c:2]1(-[c:28]2[cH:27][c:26]([CH3:25])[cH:31][c:30]([CH3:32])[cH:29]2)[cH:3][c:4]2[n:5]([c:6]([NH:8][CH2:9][CH2:10][NH:11][c:12]3[cH:13][cH:14][c:15]([N+:19](=[O:20])[O-:21])[c:16]([NH2:18])[n:17]3)[n:7]1)[n:22][cH:23][n:24]2Participants
3
Sources & evidence
- ORD record
- ord-fffd67a6643d474e8ba278dfd6f0976d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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