Ammonium → 4'-({4-[4-(2-Hydroxy-1,1-dimethylethoxy)phenyl]-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile

HRID 167047Notes

Reaction equation

HRID 167047 reaction equation
[BH4-:43].[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:42])[n:18](-[c:28]4[cH:29][cH:30][c:31]([O:32][C:33]([C:34](=[O:35])[O:36][CH3:37])([CH3:38])[CH3:39])[cH:40][cH:41]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.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl-:51].[Li+:44].[NH4+:52].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1>>[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:42])[n:18](-[c:28]4[cH:29][cH:30][c:31]([O:32][C:33]([CH2:34][OH:35])([CH3:38])[CH3:39])[cH:40][cH:41]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

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 28486Lithium ionHCID 67008821HCID 67008821, compound

Product 1

HCID 670088104'-({4-[4-(2-Hydroxy-1,1-dimethylethoxy)phenyl]-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-c0625fdbede148e089d2d4c3a5aae8b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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