Ammonium → Methyl 4-(but-1-en-1-yl)benzoate

HRID 111152

Reaction equation

HRID 111152 reaction equation
[CH2:3]([P:4]([CH2:5][CH3:6])(=[O:7])[CH2:9][c:10]1[cH:11][cH:12][c:13]([C:14](=[O:15])[O:16][CH3:17])[cH:18][cH:19]1)[CH3:8].[CH:20]([CH2:21][CH3:22])=[O:23].[Cl-:24].[H-:1].[NH4+:25].[Na+:2].[O:26]1[CH2:27][CH2:28][CH2:29][CH2:30]1>>[CH:9]([c:10]1[cH:11][cH:12][c:13]([C:14](=[O:15])[O:16][CH3:17])[cH:18][cH:19]1)=[CH:20][CH2:21][CH3:22]

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 527PropanalHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 166653HydrideHCID 21989718Methyl 4-(diethylphosphorylmethyl)benzoate

Product 1

HCID 69135322Methyl 4-(but-1-en-1-yl)benzoate

Sources & evidence

ORD record
ord-11fe9782ca1c47818a4d82726ae21864
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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