Hydrochloric Acid → 4'-{[7-Butyl-5-oxo-4-(4-oxocyclohexyl)-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}-3'-fluorobiphenyl-2-carbonitrile

HRID 1214102Notes

Reaction equation

HRID 1214102 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:25][c:26]2[c:27]([F:40])[cH:28][c:29](-[c:32]3[c:33]([C:38]#[N:39])[cH:34][cH:35][cH:36][cH:37]3)[cH:30][cH:31]2)[c:7](=[O:24])[n:8]([CH:14]2[CH2:15][CH2:16][C:17]3([O:18][CH2:21][CH2:20][O:19]3)[CH2:22][CH2:23]2)[c:9]2[n:10]1[n:11][cH:12][n:13]2.[ClH:41].[Na+:43].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH-:42]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:25][c:26]2[c:27]([F:40])[cH:28][c:29](-[c:32]3[c:33]([C:38]#[N:39])[cH:34][cH:35][cH:36][cH:37]3)[cH:30][cH:31]2)[c:7](=[O:24])[n:8]([CH:14]2[CH2:15][CH2:16][C:17](=[O:18])[CH2:22][CH2:23]2)[c:9]2[n:10]1[n:11][cH:12][n:13]2

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 670091284'-{[7-Butyl-4-(1,4-dioxaspiro[4.5]dec-8-yl)-5-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}-3'-fluorobiphenyl-2-carbonitrile

Product 1

HCID 670094944'-{[7-Butyl-5-oxo-4-(4-oxocyclohexyl)-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}-3'-fluorobiphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-60bbfab4bd154b91a6b21b725feeca4c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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