Acetone → 4'-({5-Oxo-4-[trans-4-(2-oxopropoxy)cyclohexyl]-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile

HRID 1205421Notes

Reaction equation

HRID 1205421 reaction equation
[Br-:45].[C:50](=[O:51])([O-:52])[OH:53].[CH3:46][Mg+:47].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH3:74][C:75]#[N:76].[CH3:79][C:80](=[O:81])[CH3:82].[Cl-:48].[I+3:39]([O-:40])([O-:41])([O-:42])[O-:43].[NH4+:49].[Na+:44].[Na+:54].[Na+:60].[Na+:61].[O:1]=[c:2]1[n:3]([CH:29]2[CH2:30][CH2:31][CH:32]([O:35][CH2:36][CH:37]=[CH2:38])[CH2:33][CH2:34]2)[c:4]2[n:5]([c:6]([CH2:23][CH2:24][CH3:25])[c:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21]#[N:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[n:26][cH:27][n:28]2.[O:69]1[CH2:70][CH2:71][CH2:72][CH2:73]1.[OH2:68].[Os:77]=[O:78].[S:55]([O-:56])([O-:57])(=[O:58])=[S:59]>>[O:1]=[c:2]1[n:3]([CH:29]2[CH2:30][CH2:31][CH:32]([O:35][CH2:36][C:37]([CH3:38])=[O:40])[CH2:33][CH2:34]2)[c:4]2[n:5]([c:6]([CH2:23][CH2:24][CH3:25])[c:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21]#[N:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[n:26][cH:27][n:28]2

Participants

16

Reactant 15

HCID 180AcetoneHCID 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ion4×HCID 962WaterHCID 1084Thiosulfate ionHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 142273OxoosmiumHCID 167232PeriodateHCID 670099694'-({5-Oxo-4-[4-(prop-2-en-1-yloxy)cyclohexyl]-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrileHCID 178477777HCID 178477777, compound

Product 1

HCID 670088204'-({5-Oxo-4-[trans-4-(2-oxopropoxy)cyclohexyl]-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-c75b8b652ab9463aae30b165e8899894
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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