Bromide ion → Ethyl 2-(2-methylbenzyl)-3-oxobutanoate

HRID 2320696Notes

Reaction equation

HRID 2320696 reaction equation
[Br-:28].[C:12]([CH2:13][C:14](=[O:15])[CH3:16])(=[O:17])[O:18][CH2:19][CH3:20].[CH3:1][c:2]1[c:3]([CH2:4][Cl:5])[cH:6][cH:7][cH:8][cH:9]1.[CH3:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[CH3:29][CH2:30][CH2:31][CH2:32][N+:33]([CH2:34][CH2:35][CH2:36][CH3:37])([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH3:45].[Na+:11].[OH-:10].[OH2:46]>>[CH3:1][c:2]1[c:3]([CH2:4][CH:13]([C:12](=[O:17])[O:18][CH2:19][CH3:20])[C:14](=[O:15])[CH3:16])[cH:6][cH:7][cH:8][cH:9]1

Participants

9

Reactant 8

HCID 259Bromide ionHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 8868Ethyl AcetoacetateHCID 11093alpha-Chloro-o-xyleneHCID 16028Tetrabutylammonium

Product 1

HCID 15588514Ethyl 2-(2-methylbenzyl)-3-oxobutanoate

Sources & evidence

ORD record
ord-d2e38f1a86b64b69b7c7ccf468f4ffb3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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