Sodium ion → HCID 57799422, compound

HRID 1136644Notes

Reaction equation

HRID 1136644 reaction equation
[Br:1][c:2]1[c:3]2[n:4]([cH:5][cH:6][c:7]1[Cl:8])[c:9](=[O:24])[n:10]([CH2:12][c:13]1[c:14]([CH3:23])[n:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]1)[n:11]2.[CH3:25][C:26]1([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31][B:32]([c:33]2[cH:34][cH:35][n:36][cH:37][cH:38]2)[O:39]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[OH2:53]>>[c:2]1(-[c:33]2[cH:34][cH:35][n:36][cH:37][cH:38]2)[c:3]2[n:4]([cH:5][cH:6][c:7]1[Cl:8])[c:9](=[O:24])[n:10]([CH2:12][c:13]1[c:14]([CH3:23])[n:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]1)[n:11]2

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 27346484-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineHCID 577994118-bromo-7-chloro-2-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Product 1

HCID 57799422HCID 57799422, compound

Sources & evidence

ORD record
ord-168cf4553c89422f912b08af4cb838ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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