Water → 2-Hydroxy-4-chloro-5-(1,1-dimethylethyl)benzaldehyde

HRID 1209172

Reaction equation

HRID 1209172 reaction equation
[CH2:13]1[N:14]2[CH2:15][N:16]3[CH2:17][N:18]([CH2:19]2)[CH2:20][N:21]1[CH2:22]3.[Cl:1][c:2]1[cH:3][c:4]([OH:12])[cH:5][cH:6][c:7]1[C:8]([CH3:9])([CH3:10])[CH3:11].[OH2:30].[OH:23][C:24]([C:25]([F:26])([F:27])[F:28])=[O:29]>>[Cl:1][c:2]1[cH:3][c:4]([OH:12])[c:5]([CH:24]=[O:23])[cH:6][c:7]1[C:8]([CH3:9])([CH3:10])[CH3:11]

Participants

5

Reactant 4

HCID 962WaterHCID 4101HexamethylenetetramineHCID 6422Trifluoroacetic acidHCID 134994724-tert-Butyl-3-chlorophenol

Product 1

HCID 230354272-Hydroxy-4-chloro-5-(1,1-dimethylethyl)benzaldehyde

Sources & evidence

ORD record
ord-c59cd1ce6c0d46a3be4c3f5420998502
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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