Sodium ion → HCID 16004905, compound

HRID 1574596Notes

Reaction equation

HRID 1574596 reaction equation
[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:1][c:2]1[c:3](-[c:24]2[cH:25][cH:26][n:27][cH:28][cH:29]2)[c:4]2[n:5]([cH:6][cH:7]1)[c:8](=[O:23])[n:9]([CH2:11][c:12]1[c:13]([CH3:22])[n:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]1)[n:10]2.[F:30][C:31]([c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1)([F:41])[F:42].[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48]>>[c:2]1(-[c:35]2[cH:34][cH:33][c:32]([C:31]([F:30])([F:41])[F:42])[cH:37][cH:36]2)[c:3](-[c:24]2[cH:25][cH:26][n:27][cH:28][cH:29]2)[c:4]2[n:5]([cH:6][cH:7]1)[c:8](=[O:23])[n:9]([CH2:11][c:12]1[c:13]([CH3:22])[n:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]1)[n:10]2

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 1140TolueneHCID 19660Carbonate IonHCID 27343894-(Trifluoromethyl)phenylboronic acidHCID 577994227-chloro-2-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Product 1

HCID 16004905HCID 16004905, compound

Sources & evidence

ORD record
ord-123a4a900c7a4ec4a6059030d2069d14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…