Methanol → 4'-{[3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dioxo-6-(2,2,2-trifluoroethyl)-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

HRID 149934Notes

Reaction equation

HRID 149934 reaction equation
[BH4-:47].[CH3:49][OH:50].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][n:10]2[c:11](=[O:40])[n:12]([CH2:25][c:26]3[cH:27][cH:28][c:29](-[c:32]4[c:33]([C:38]#[N:39])[cH:34][cH:35][cH:36][cH:37]4)[cH:30][cH:31]3)[c:13]3[c:14]([c:15]2=[O:16])[cH:17][c:18]([CH2:20][C:21]([F:22])([F:23])[F:24])[s:19]3)=[O:41])[cH:6][cH:7]1.[Na+:48].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][n:10]2[c:11](=[O:40])[n:12]([CH2:25][c:26]3[cH:27][cH:28][c:29](-[c:32]4[c:33]([C:38]#[N:39])[cH:34][cH:35][cH:36][cH:37]4)[cH:30][cH:31]3)[c:13]3[c:14]([c:15]2=[O:16])[cH:17][c:18]([CH2:20][C:21]([F:22])([F:23])[F:24])[s:19]3)[OH:41])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 887MethanolHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 28123BorohydrideHCID 593518164'-{[3-[2-(4-fluorophenyl)-2-oxoethyl]-2,4-dioxo-6-(2,2,2-trifluoroethyl)-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

Product 1

HCID 593515364'-{[3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dioxo-6-(2,2,2-trifluoroethyl)-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-3b7a5b4043ca4b758059badbf6c47836
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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