Butanal → 5-Bromo-N2-(4-butylamino-phenyl)-N4-[2-(3H-imidazol-4-yl)-ethyl]-pyrimidine-2,4-diamine
Reaction equation
[C:29]([BH3-:30])#[N:31].[CH3:33][OH:34].[CH:24]([CH2:25][CH2:26][CH3:27])=[O:28].[NH2:1][c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[n:10][cH:11][c:12]([Br:23])[c:13]([NH:15][CH2:16][CH2:17][c:18]3[nH:19][cH:20][n:21][cH:22]3)[n:14]2)[cH:6][cH:7]1.[Na+:32]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[n:10][cH:11][c:12]([Br:23])[c:13]([NH:15][CH2:16][CH2:17][c:18]3[nH:19][cH:20][n:21][cH:22]3)[n:14]2)[cH:6][cH:7]1)[CH2:24][CH2:25][CH2:26][CH3:27]Participants
6
Sources & evidence
- ORD record
- ord-32c9735ee9b24c3f9b5d2e06fc7c2fef
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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