Hydrochloric Acid → 5-(1,1-Dimethylethyl)salicylic acid

HRID 1546889Notes

Reaction equation

HRID 1546889 reaction equation
[CH2:36]1[O:37][CH2:38][CH2:39][O:40][CH2:41]1.[CH3:12][C:13]([CH3:14])([CH3:15])[c:16]1[cH:17][cH:18][c:19]([OH:24])[c:20]([CH:21]=[O:22])[cH:23]1.[Cl+:25]([O-:26])[O-:27].[ClH:35].[NH2:1][S:2](=[O:3])(=[O:4])[OH:5].[Na+:28].[Na+:33].[Na+:34].[Na+:6].[OH2:42].[OH:7][P:8](=[O:9])([O-:10])[OH:11].[S:29]([O-:30])([O-:31])=[O:32]>>[CH3:12][C:13]([CH3:14])([CH3:15])[c:16]1[cH:17][cH:18][c:19]([OH:24])[c:20]([C:21](=[O:22])[OH:26])[cH:23]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 923Sodium ion4×HCID 962WaterHCID 1003DihydrogenphosphateHCID 1099SulfiteHCID 5987Sulfamic AcidHCID 312751,4-DioxaneHCID 197148ChloriteHCID 14750905-tert-Butylsalicylaldehyde

Product 1

HCID 852815-(1,1-Dimethylethyl)salicylic acid

Sources & evidence

ORD record
ord-1cba2f639e70421086d55066b2b99294
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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