Water → 5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid

HRID 1558965Notes

Reaction equation

HRID 1558965 reaction equation
[C:17](=[O:18])([O-:19])[O-:20].[CH3:23][NH:24][CH:25]1[CH2:26][CH2:27][CH2:28][CH2:29][CH:30]1[NH:31][CH3:32].[Cs+:21].[Cs+:22].[Cu:39][I:40].[I:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([CH3:11])[cH:9][cH:10]1.[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[OH2:38].[nH:12]1[n:13][n:14][cH:15][cH:16]1>>[c:2]1(-[n:13]2[n:12][cH:16][cH:15][n:14]2)[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([CH3:11])[cH:9][cH:10]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 104967Cesium cation2×HCID 1429412-Iodo-5-methylbenzoic acidHCID 5510741-N,2-N-dimethylcyclohexane-1,2-diamineHCID 178418936HCID 178418936, compound

Product 1

HCID 532601655-methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid

Sources & evidence

ORD record
ord-ad48f452b9424758be2d7d6b1868a2c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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