Sodium ion → HCID 16004908, compound

HRID 292012Notes

Reaction equation

HRID 292012 reaction equation
[CH3:30][O:31][c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1.[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]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.[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46]>>[c:2]1(-[c:35]2[cH:34][cH:33][c:32]([O:31][CH3:30])[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 201262(4-Methoxyphenyl)boronic 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 16004908HCID 16004908, compound

Sources & evidence

ORD record
ord-1c23909c307f40d3bdd53f315e5da6de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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