Hydrochloric Acid → 1-(4-pentafluoroethyloxy-phenyl)-3-p-tolyl-1H-[1,2,4]triazole

HRID 2133605Notes

Reaction equation

HRID 2133605 reaction equation
[C:28](=[O:29])([O-:30])[O-:31].[ClH:45].[Cs+:32].[Cs+:33].[Cu:52][I:53].[F:13][C:14]([C:15]([F:16])([F:17])[F:18])([F:19])[O:20][c:21]1[cH:22][cH:23][c:24]([Br:27])[cH:25][cH:26]1.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:51].[OH2:54].[OH:34][c:35]1[cH:36][cH:37][cH:38][c:39]2[c:40]1[n:41][cH:42][cH:43][cH:44]2.[c:1]1([CH3:12])[cH:2][cH:3][c:4](-[c:7]2[n:8][nH:9][cH:10][n:11]2)[cH:5][cH:6]1>>[c:1]1([CH3:12])[cH:2][cH:3][c:4](-[c:7]2[n:8][n:9](-[c:24]3[cH:23][cH:22][c:21]([O:20][C:14]([F:13])([C:15]([F:16])([F:17])[F:18])[F:19])[cH:26][cH:25]3)[cH:10][n:11]2)[cH:5][cH:6]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962Water2×HCID 19238-HydroxyquinolineHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 918531-Bromo-4-(pentafluoroethoxy)benzeneHCID 104967Cesium cation2×HCID 178423994HCID 178423994, compound

Product 1

HCID 866333811-(4-pentafluoroethyloxy-phenyl)-3-p-tolyl-1H-[1,2,4]triazole

Sources & evidence

ORD record
ord-54a314a5dd25440fa033abdb11ba0eb8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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