Bicarbonate Ion → 2-methyl-6-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-7-propyl-4-(3,3,3-trifluoro-2-oxopropyl) [1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one

HRID 1206726Notes

Reaction equation

HRID 1206726 reaction equation
[C:44](=[O:45])([O-:46])[OH:47].[CH3:1][c:2]1[n:3][n:4]2[c:5]([n:6]([CH2:33][CH:34]([C:35]([F:36])([F:37])[F:38])[OH:39])[c:7](=[O:32])[c:8]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21](-[c:26]5[n:27][o:28][c:29](=[O:31])[nH:30]5)[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:9]2[CH2:10][CH2:11][CH3:12])[n:40]1.[CH3:41][C:42]#[N:43].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[Na+:48].[Na+:59].[Na+:60].[OH2:49].[OH2:50].[OH2:51].[OH2:52].[OH2:53].[S:54]([O-:55])([O-:56])(=[O:57])=[S:58]>>[CH3:1][c:2]1[n:3][n:4]2[c:5]([n:6]([CH2:33][C:34]([C:35]([F:36])([F:37])[F:38])=[O:39])[c:7](=[O:32])[c:8]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21](-[c:26]5[n:27][o:28][c:29](=[O:31])[nH:30]5)[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:9]2[CH2:10][CH2:11][CH3:12])[n:40]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 962Water5×HCID 1084Thiosulfate ionHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 1360636912-methyl-6-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-7-propyl-4-(3,3,3-trifluoro-2-hydroxypropyl) [1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one

Product 1

HCID 1360637522-methyl-6-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-7-propyl-4-(3,3,3-trifluoro-2-oxopropyl) [1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one

Sources & evidence

ORD record
ord-6f178e8eb16b4180aab3599dfcc633e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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