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

HRID 2325495Notes

Reaction equation

HRID 2325495 reaction equation
[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]([CH2:15][c:16]3[c:17](=[O:39])[n:18]([CH2:28][c:29]4[cH:30][cH:31][c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38]4)[c:19]4[n:20]([c:21]3[CH2:22][CH2:23][CH3:24])[n:25][cH:26][n:27]4)[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1.[CH3:48][OH:49].[ClH:47].[Na+:41].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH-:40]>>[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]([CH2:15][c:16]3[c:17](=[O:39])[n:18]([CH2:28][c:29]4[cH:30][cH:31][c:32]([CH2:33][OH:34])[cH:37][cH:38]4)[c:19]4[n:20]([c:21]3[CH2:22][CH2:23][CH3:24])[n:25][cH:26][n:27]4)[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 67009166methyl 4-({6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}methyl)benzoate

Product 1

HCID 670093144'-({4-[4-Hydroxymethylbenzyl]-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-347ae9cb87fc4b5880723d4f8d3cbd5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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