Citric Acid → 6-(1,1-dimethylethyl)-5-(2-methyl-2H-1,2,4-triazol-3-ylmethoxy)-3-phenyl-1,2,3-triazolo[4,5-b]pyridine

HRID 817593Notes

Reaction equation

HRID 817593 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH3:22][n:23]1[n:24][cH:25][n:26][c:27]1[CH2:28][Cl:29].[ClH:21].[Cs+:34].[Cs+:35].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[OH2:41].[OH:42][C:43]([CH2:44][C:45]([C:46](=[O:47])[OH:48])([CH2:49][C:50](=[O:51])[OH:52])[OH:53])=[O:54].[c:1]1(-[n:7]2[n:8][n:9][c:10]3[c:11]2[nH:12][c:13](=[O:20])[c:14]([C:16]([CH3:17])([CH3:18])[CH3:19])[cH:15]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[n:7]2[n:8][n:9][c:10]3[c:11]2[n:12][c:13]([O:20][CH2:28][c:27]2[n:23]([CH3:22])[n:24][cH:25][n:26]2)[c:14]([C:16]([CH3:17])([CH3:18])[CH3:19])[cH:15]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 311Citric AcidHCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 104192195-(Chloromethyl)-1-methyl-1H-1,2,4-triazoleHCID 1358341243-Phenyl-6-(tert-butyl)-3,4-dihydro-1,2,3-triazolo[4,5-b]pyridin-5-one

Product 1

HCID 98204146-(1,1-dimethylethyl)-5-(2-methyl-2H-1,2,4-triazol-3-ylmethoxy)-3-phenyl-1,2,3-triazolo[4,5-b]pyridine

Sources & evidence

ORD record
ord-9cf0cad7e13a4d08bd534906a1959edc
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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