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

HRID 1222740Notes

Reaction equation

HRID 1222740 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]([CH2:45][CH2:46][CH3:47])[n:23][c:24]([CH2:43][CH3:44])[n:25](-[c:28]4[cH:29][cH:30][c:31]([O:32][C:33]([C:34](=[O:35])[O:36][CH2:37][CH3:38])([CH3:39])[CH3:40])[cH:41][cH:42]4)[c:26]3=[O:27])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1.[CH3:48][CH2:49][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]([CH2:45][CH2:46][CH3:47])[n:23][c:24]([CH2:43][CH3:44])[n:25](-[c:28]4[cH:29][cH:30][c:31]([O:32][C:33]([CH2:34][OH:35])([CH3:39])[CH3:40])[cH:41][cH:42]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 702EthanolHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 57460859HCID 57460859, compound

Product 1

HCID 574608604'-({2-Ethyl-1-[4-(2-hydroxy-1,1-dimethylethoxy)phenyl]-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl}methyl)biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-e677902159c24cedaecef2b31c7f7cfa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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