Iodoethane → 2-Ethyl-3-methyl-3-phenylbutanoic acid

HRID 86464

Reaction equation

HRID 86464 reaction equation
[CH2:31]([I:32])[CH3:33].[CH3:1][C:2]([CH2:3][C:4](=[O:5])[OH:6])([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[CH3:13].[CH3:22][N:23]1[CH2:24][CH2:25][CH2:26][N:27]([CH3:28])[C:29]1=[O:30].[CH:14]([CH3:15])([N-:16][CH:17]([CH3:18])[CH3:19])[CH3:20].[Li+:21].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1>>[CH3:1][C:2]([CH:3]([C:4](=[O:5])[OH:6])[CH2:14][CH3:15])([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[CH3:13]

Participants

7

Reactant 6

HCID 6340IodoethaneHCID 8028TetrahydrofuranHCID 13890beta-Phenylisovaleric acidHCID 28486Lithium ionHCID 816462(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-HCID 5062348Diisopropylamide

Product 1

HCID 112757642-Ethyl-3-methyl-3-phenylbutanoic acid

Sources & evidence

ORD record
ord-9247691baae64bb588af3fe5f3f62378
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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