Acetic Acid → 4-Methoxycinnamate methyl ester

HRID 2337219Notes

Reaction equation

HRID 2337219 reaction equation
[C:22]([NH2:23])([CH3:24])([CH3:25])[CH3:26].[C:27]([CH:28]=[CH2:29])(=[O:30])[O:31][CH3:32].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH2:9])[cH:7][cH:8]1.[CH3:41][C:42](=[O:43])[OH:44].[N:15]([O-:16])=[O:17].[N:19]([OH:20])=[O:21].[Na+:18].[OH2:46].[OH:33][c:34]1[cH:35][cH:36][cH:37][cH:38][c:39]1[CH3:40].[Pd:45].[S:10](=[O:11])(=[O:12])([OH:13])[OH:14]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:29]=[CH:28][C:27](=[O:30])[O:31][CH3:32])[cH:7][cH:8]1

Participants

12

Reactant 11

HCID 176Acetic AcidHCID 335O-CresolHCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 1118Sulfuric AcidHCID 6385Tert-ButylamineHCID 7294Methyl AcrylateHCID 7732P-AnisidineHCID 23938PalladiumHCID 24529Nitrous Acid

Product 1

HCID 928414-Methoxycinnamate methyl ester

Sources & evidence

ORD record
ord-b81a9582da9d470ca917ba80ff8b2322
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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