Bicarbonate Ion → 3'-Fluoro-4'-[(4-{4-[1-(1-formylcyclobutyl)ethoxy]cyclohexyl}-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]biphenyl-2-carbonitrile

HRID 212788Notes

Reaction equation

HRID 212788 reaction equation
[C:45]([BH3-:46])#[N:47].[C:49](=[O:50])([O-:51])[OH:52].[CH3:61][C:62]#[N:63].[F:1][c:2]1[cH:3][c:4](-[c:37]2[c:38]([C:43]#[N:44])[cH:39][cH:40][cH:41][cH:42]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:36])[n:11]([CH:21]2[CH2:22][CH2:23][C:24]3([O:25][CH:26]([CH3:33])[C:27]4([CH2:28][CH2:29][CH2:30]4)[CH2:31][O:32]3)[CH2:34][CH2:35]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2.[Na+:48].[Na+:53].[Na+:59].[Na+:60].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[S:54]([O-:55])([O-:56])(=[O:57])=[S:58]>>[F:1][c:2]1[cH:3][c:4](-[c:37]2[c:38]([C:43]#[N:44])[cH:39][cH:40][cH:41][cH:42]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:36])[n:11]([CH:21]2[CH2:22][CH2:23][CH:24]([O:25][CH:26]([C:27]3([CH:31]=[O:32])[CH2:28][CH2:29][CH2:30]3)[CH3:33])[CH2:34][CH2:35]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ion4×HCID 1084Thiosulfate ionHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 498716Cyano-borohydrideHCID 670096483'-Fluoro-4'-{[4-(5-methyl-6,13-dioxadispiro[3.2.5.2]tetradec-10-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 866440513'-Fluoro-4'-[(4-{4-[1-(1-formylcyclobutyl)ethoxy]cyclohexyl}-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-b0cb7abf8e3843e5a260702a736296bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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