Hydrochloric Acid → 4'-{[4-(3-{[Tert-butyl(dimethyl)silyl]oxy}-1,5-dioxaspiro[5.5]undec-9-yl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile

HRID 296483Notes

Reaction equation

HRID 296483 reaction equation
[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[ClH:64].[F:49][C:50]([F:51])([F:52])[S:53]([O:54][Si:55]([CH3:56])([CH3:57])[C:58]([CH3:59])([CH3:60])[CH3:61])(=[O:62])=[O:63].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1.[OH2:70].[OH:1][CH:2]1[CH2:3][O:4][C:5]2([O:6][CH2:7]1)[CH2:8][CH2:9][CH:10]([n:13]1[c:14]3[n:15]([c:16]([CH2:35][CH2:36][CH3:37])[c:17]([CH2:20][c:21]4[cH:22][cH:23][c:24](-[c:27]5[c:28]([C:33]#[N:34])[cH:29][cH:30][cH:31][cH:32]5)[cH:25][cH:26]4)[c:18]1=[O:19])[n:38][cH:39][n:40]3)[CH2:11][CH2:12]2.[n:41]1[c:42]([CH3:43])[cH:44][cH:45][cH:46][c:47]1[CH3:48]>>[O:1]([CH:2]1[CH2:3][O:4][C:5]2([O:6][CH2:7]1)[CH2:8][CH2:9][CH:10]([n:13]1[c:14]3[n:15]([c:16]([CH2:35][CH2:36][CH3:37])[c:17]([CH2:20][c:21]4[cH:22][cH:23][c:24](-[c:27]5[c:28]([C:33]#[N:34])[cH:29][cH:30][cH:31][cH:32]5)[cH:25][cH:26]4)[c:18]1=[O:19])[n:38][cH:39][n:40]3)[CH2:11][CH2:12]2)[Si:55]([CH3:56])([CH3:57])[C:58]([CH3:59])([CH3:60])[CH3:61]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 79372,6-LutidineHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 123564tert-Butyldimethylsilyl trifluoromethanesulphonateHCID 670088804'-{[4-(3-Hydroxy-1,5-dioxaspiro[5.5]undec-9-yl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile

Product 1

HCID 670084814'-{[4-(3-{[Tert-butyl(dimethyl)silyl]oxy}-1,5-dioxaspiro[5.5]undec-9-yl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-13a13cdfbc46483eb37ec4256c5443d1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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