Bromide ion → 4'-{[6-ethyl-3-[2-hydroxy-2-(4-methoxyphenyl)-1-methylethyl]-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

HRID 107542Notes

Reaction equation

HRID 107542 reaction equation
[Br-:33].[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:17][c:18]3[cH:19][cH:20][c:21](-[c:24]4[c:25]([C:30]#[N:31])[cH:26][cH:27][cH:28][cH:29]4)[cH:22][cH:23]3)[c:8](=[O:16])[n:9]([CH:12]([CH:13]=[O:14])[CH3:15])[c:10]2=[O:11])[s:32]1.[CH3:34][O:35][c:36]1[cH:37][cH:38][c:39]([Mg+:42])[cH:40][cH:41]1.[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:17][c:18]3[cH:19][cH:20][c:21](-[c:24]4[c:25]([C:30]#[N:31])[cH:26][cH:27][cH:28][cH:29]4)[cH:22][cH:23]3)[c:8](=[O:16])[n:9]([CH:12]([CH:13]([OH:14])[c:39]3[cH:38][cH:37][c:36]([O:35][CH3:34])[cH:41][cH:40]3)[CH3:15])[c:10]2=[O:11])[s:32]1

Participants

5

Reactant 4

HCID 259Bromide ionHCID 8028TetrahydrofuranHCID 593515604'-{[6-ethyl-3-(1-methyl-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrileHCID 178491919HCID 178491919, compound

Product 1

HCID 593517204'-{[6-ethyl-3-[2-hydroxy-2-(4-methoxyphenyl)-1-methylethyl]-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-a7b42de933394a598748ac18ae0af15c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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