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

HRID 822945Notes

Reaction equation

HRID 822945 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:37](=[O:38])[O:39][CH2:40][CH3:41])[CH2:34][CH2:35][CH2:36]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.[CH3:54][CH2:55][OH:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Ca+2:5].[Cl-:3].[Cl-:4].[Na+:2].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]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([CH2:37][OH:38])[CH2:34][CH2:35][CH2:36]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

9

Reactant 8

HCID 271Calcium CationHCID 312Chloride2×HCID 702EthanolHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 57460924ethyl 1-{4-[5-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethyl-6-oxo-4-propylpyrimidin-1(6H)-yl]phenoxy}cyclobutanecarboxylate

Product 1

HCID 574609254'-{[2-Ethyl-1-(4-{[1-(hydroxymethyl)cyclobutyl]oxy}phenyl)-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-133d062a762f4b608978cd0a5bda5ff5
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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