Hydrogen Bromide → Ethyl 4-(3,4-Dimethoxyphenyl)-4-oxo-2-butynoate

HRID 1151850Notes

Reaction equation

HRID 1151850 reaction equation
[Br:1][CH:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])[CH:8]([C:9](=[O:10])[c:11]1[cH:12][c:13]([O:19][CH3:20])[c:14]([O:17][CH3:18])[cH:15][cH:16]1)[Br:21].[Br:41].[CH2:42]([Cl:43])[Cl:44].[CH3:22][O:23][c:24]1[cH:25][c:26]([C:27](=[O:28])[CH:29]=[CH:30][C:31]([O:32][CH2:33][CH3:34])=[O:35])[cH:36][cH:37][c:38]1[O:39][CH3:40]>>[C:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])#[C:8][C:9](=[O:10])[c:11]1[cH:12][c:13]([O:19][CH3:20])[c:14]([O:17][CH3:18])[cH:15][cH:16]1

Participants

5

Reactant 4

HCID 260Hydrogen BromideHCID 6344DichloromethaneHCID 22222634Ethyl 2,3-dibromo-4-(3,4-dimethoxyphenyl)-4-oxobutanoateHCID 53400457Ethyl 4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoate

Product 1

HCID 22222587Ethyl 4-(3,4-Dimethoxyphenyl)-4-oxo-2-butynoate

Sources & evidence

ORD record
ord-f72120160a794dc78218cbf1bd1fe2a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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