Sodium ion → 7,8-bis(4-chlorophenyl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

HRID 699930Notes

Reaction equation

HRID 699930 reaction equation
[Br:1][c:2]1[c:3]2[n:4]([c:5](=[O:6])[n:7]([CH2:8][c:9]3[cH:10][n:11][c:12]([C:13]([F:14])([F:15])[F:16])[cH:17][cH:18]3)[n:19]2)[cH:20][cH:21][c:22]1[Cl:23].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[Cl:24][c:25]1[cH:26][cH:27][c:28]([B:31]([OH:32])[OH:33])[cH:29][cH:30]1.[Cl:34][c:35]1[c:36](-[c:56]2[cH:57][cH:58][c:59]([Cl:62])[cH:60][cH:61]2)[c:37]2[n:38]([cH:39][cH:40]1)[c:41](=[O:55])[n:42]([CH2:44][c:45]1[cH:46][n:47][c:48]([C:51]([F:52])([F:53])[F:54])[cH:49][cH:50]1)[n:43]2.[Na+:70].[Na+:71].[O-:72][C:73](=[O:74])[O-:75]>>[Cl:24][c:25]1[cH:26][cH:27][c:28](-[c:35]2[c:36](-[c:56]3[cH:57][cH:58][c:59]([Cl:62])[cH:60][cH:61]3)[c:37]3[n:38]([cH:39][cH:40]2)[c:41](=[O:55])[n:42]([CH2:44][c:45]2[cH:46][n:47][c:48]([C:51]([F:52])([F:53])[F:54])[cH:49][cH:50]2)[n:43]3)[cH:29][cH:30]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 1140TolueneHCID 19660Carbonate IonHCID 742994-Chlorophenylboronic acidHCID 577993578-bromo-7-chloro-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-oneHCID 690649137-chloro-8-(4-chlorophenyl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Product 1

HCID 160048717,8-bis(4-chlorophenyl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Sources & evidence

ORD record
ord-b48ff08fa529469a90dad468e3034c3b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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