Chloride → 5-(4-isobutyl-4H-[1,2,4]triazol-3-yl)-2,4-dimethoxy-benzaldehyde

HRID 2147480Notes

Reaction equation

HRID 2147480 reaction equation
[CH3:1][O:2][c:3]1[c:4](-[c:11]2[n:12][n:13][cH:14][n:15]2[CH2:16][CH:17]([CH3:18])[CH3:19])[cH:5][cH:6][c:7]([O:9][CH3:10])[cH:8]1.[CH3:20][O:21][CH:22]([Cl:23])[Cl:24].[Cl-:25].[Cl-:26].[Cl-:27].[Cl-:28].[Ti+4:29]>>[CH3:1][O:2][c:3]1[c:4](-[c:11]2[n:12][n:13][cH:14][n:15]2[CH2:16][CH:17]([CH3:18])[CH3:19])[cH:5][c:6]([CH:20]=[O:21])[c:7]([O:9][CH3:10])[cH:8]1

Participants

5

Reactant 4

HCID 312Chloride4×HCID 21004Methane, dichloromethoxy-HCID 114942Titanium cation (4+)HCID 219810123-(2,4-dimethoxy-phenyl)-4-isobutyl-4H-[1,2,4]triazole

Product 1

HCID 219810255-(4-isobutyl-4H-[1,2,4]triazol-3-yl)-2,4-dimethoxy-benzaldehyde

Sources & evidence

ORD record
ord-4c1df875fe424bf6a96a8f999bbbe935
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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