Dimethylformamide → 3-[6-bromo-3,5-dioxo-4-(phenylcarbonyl)-4,5-dihydro-1,2,4-triazin-2(3H)-yl]propanal

Reaction equation

[Br:1][c:2]1[c:3](=[O:17])[n:4]([C:9](=[O:10])[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:5](=[O:8])[nH:6][n:7]1.[CH2:18]([N:19]([CH2:20][CH3:21])[CH2:22][CH3:23])[CH3:24].[CH3:29][N:30]([CH3:31])[CH:32]=[O:33].[CH:25](=[O:26])[CH:27]=[CH2:28]>>[Br:1][c:2]1[c:3](=[O:17])[n:4]([C:9](=[O:10])[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:5](=[O:8])[n:6]([CH2:28][CH2:27][CH:25]=[O:26])[n:7]1

Participants

Reactant 4

HCID 6228Dimethylformamide

HCID 7847Acrolein

HCID 8471Triethylamine

HCID 684307866-bromo-4-(phenylcarbonyl)-1,2,4-triazine-3,5(2H,4H)-dione

Product 1

HCID 594961013-[6-bromo-3,5-dioxo-4-(phenylcarbonyl)-4,5-dihydro-1,2,4-triazin-2(3H)-yl]propanal

Sources & evidence

ORD record: ord-6a63c78f5d9f48aa8d9c1758446f0981
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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