Hydrochloric Acid → 7-Bromo-8-hydroxymethyl-3,3-dimethyl-3,4-dihydro-1H-quinoxalin-2-one

HRID 2317506Notes

Reaction equation

HRID 2317506 reaction equation
[Al+3:2].[Br:7][c:8]1[cH:9][cH:10][c:11]2[c:16]([c:17]1[C:18](=[O:19])[O:20][CH3:21])[NH:15][C:14](=[O:22])[C:13]([CH3:23])([CH3:24])[NH:12]2.[CH3:25][CH2:26][O:27][C:28](=[O:29])[CH3:30].[ClH:31].[H-:1].[H-:4].[H-:5].[H-:6].[Li+:3].[O:32]1[CH2:33][CH2:34][CH2:35][CH2:36]1.[OH2:37]>>[Br:7][c:8]1[cH:9][cH:10][c:11]2[c:16]([c:17]1[CH2:18][OH:19])[NH:15][C:14](=[O:22])[C:13]([CH3:23])([CH3:24])[NH:12]2

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 24780709Methyl 6-bromo-2,2-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxylate

Product 1

HCID 576720007-Bromo-8-hydroxymethyl-3,3-dimethyl-3,4-dihydro-1H-quinoxalin-2-one

Sources & evidence

ORD record
ord-95d7c74cc130403d958f005f452416cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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