Sodium ion → HCID 16004907, compound

HRID 204580Notes

Reaction equation

HRID 204580 reaction equation
[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]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+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[OH:30][B:31]([OH:32])[c:33]1[cH:34][cH:35][c:36]([F:37])[cH:38][cH:39]1>>[c:2]1(-[c:33]2[cH:34][cH:35][c:36]([F:37])[cH:38][cH:39]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 2856454-Fluorophenylboronic 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 16004907HCID 16004907, compound

Sources & evidence

ORD record
ord-d27da2f832954c15b44bcb4809a78ac0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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