Calcium Cation → 4'-{[2-Ethyl-1-(4-{[1-(hydroxymethyl)cyclopentyl]oxy}phenyl)-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile

HRID 124380Notes

Reaction equation

HRID 124380 reaction equation
[BH4-:1].[C:6](#[N:7])[c:8]1[c:9](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][c:21]3[c:22]([CH2:46][CH2:47][CH3:48])[n:23][c:24]([CH2:44][CH3:45])[n:25](-[c:28]4[cH:29][cH:30][c:31]([O:32][C:33]5([C:38](=[O:39])[O:40][CH3:41])[CH2:34][CH2:35][CH2:36][CH2:37]5)[cH:42][cH:43]4)[c:26]3=[O:27])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1.[CH3:49][OH:50].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Ca+2:5].[Cl-:3].[Cl-:4].[ClH:62].[Na+:2].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1>>[C:6](#[N:7])[c:8]1[c:9](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][c:21]3[c:22]([CH2:46][CH2:47][CH3:48])[n:23][c:24]([CH2:44][CH3:45])[n:25](-[c:28]4[cH:29][cH:30][c:31]([O:32][C:33]5([CH2:38][OH:39])[CH2:34][CH2:35][CH2:36][CH2:37]5)[cH:42][cH:43]4)[c:26]3=[O:27])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1

Participants

10

Reactant 9

HCID 271Calcium CationHCID 312Chloride2×HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 57460881HCID 57460881, compound

Product 1

HCID 574608824'-{[2-Ethyl-1-(4-{[1-(hydroxymethyl)cyclopentyl]oxy}phenyl)-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-8426fcfae7af46068cd40e3aee3b83cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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