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

HRID 147829Notes

Reaction equation

HRID 147829 reaction equation
[BH4-:51].[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:37])[n:18]([CH:28]4[CH2:29][CH2:30][CH:31]([C:34](=[O:35])[OH:36])[CH2:32][CH2:33]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.[C:45]([Cl:46])(=[O:47])[O:48][CH2:49][CH3:50].[CH3:38][N:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[CH3:55][OH:56].[Cl-:53].[NH4+:54].[Na+:52].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]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:37])[n:18]([CH:28]4[CH2:29][CH2:30][CH:31]([CH2:34][OH:35])[CH2:32][CH2:33]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

10

Reactant 9

HCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 923Sodium ionHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 10928Ethyl chloroformateHCID 28123BorohydrideHCID 67009553trans-4-{6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexanecarboxylic acid

Product 1

HCID 670090504'-({4-[trans-4-(Hydroxymethyl)cyclohexyl]-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-e104e9d900df45749d0b5d2d19c516c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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