Acetic Acid → 4'-{[4-(4-Hydroxyphenyl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile

HRID 1124679Notes

Reaction equation

HRID 1124679 reaction equation
[BrH:43].[C:39]([OH:40])(=[O:41])[CH3:42].[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[cH:6][cH:7][c:8](-[n:11]2[c:12]3[n:13]([c:14]([CH2:33][CH2:34][CH3:35])[c:15]([CH2:18][c:19]4[cH:20][cH:21][c:22](-[c:25]5[c:26]([C:31]#[N:32])[cH:27][cH:28][cH:29][cH:30]5)[cH:23][cH:24]4)[c:16]2=[O:17])[n:36][cH:37][n:38]3)[cH:9][cH:10]1>>[OH:4][c:5]1[cH:6][cH:7][c:8](-[n:11]2[c:12]3[n:13]([c:14]([CH2:33][CH2:34][CH3:35])[c:15]([CH2:18][c:19]4[cH:20][cH:21][c:22](-[c:25]5[c:26]([C:31]#[N:32])[cH:27][cH:28][cH:29][cH:30]5)[cH:23][cH:24]4)[c:16]2=[O:17])[n:36][cH:37][n:38]3)[cH:9][cH:10]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 67009173HCID 67009173, compound

Product 1

HCID 670088624'-{[4-(4-Hydroxyphenyl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-88083b34ff484fc59ae8ca0fb494f53c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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