Ammonium → Methyl 2-methyl-2-phenylpropanoate

HRID 1536661Notes

Reaction equation

HRID 1536661 reaction equation
[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:31][N:32]([CH3:33])[P:34]([N:35]([CH3:36])[CH3:37])([N:38]([CH3:39])[CH3:40])=[O:41].[CH3:42][I:43].[CH3:6][CH2:7][CH2:8][CH2:9][CH2:10][CH3:11].[CH:12]([NH:13][CH:14]([CH3:15])[CH3:16])([CH3:17])[CH3:18].[Cl-:44].[NH4+:45].[OH2:51].[c:19]1([CH:25]([C:26](=[O:27])[O:28][CH3:29])[CH3:30])[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[CH3:1][C:25]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)([C:26](=[O:27])[O:28][CH3:29])[CH3:30]

Participants

11

Reactant 10

HCID 223AmmoniumHCID 312ChlorideHCID 962WaterHCID 6328Methyl iodideHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8058HexaneHCID 12679HexamethylphosphoramideHCID 569653Methyl alpha-methylbenzeneacetateHCID 178418339Butyllithium

Product 1

HCID 143498Methyl 2-methyl-2-phenylpropanoate

Sources & evidence

ORD record
ord-f52567aec60541fab6eb717dbcb3d68d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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