Acetic Acid → 9-Bromo-5-(o-acetylphenylcarbamoylmethyl)-6,7-dihydro-1H, 5H-pyrido[1,2,3-de]quinoxaline-2,3-dione

HRID 667701Notes

Reaction equation

HRID 667701 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]3[n:6]([c:7](=[O:13])[c:8](=[O:12])[nH:9][c:10]3[cH:11]1)[CH:14]([CH2:17][C:18](=[O:19])[OH:20])[CH2:15][CH2:16]2.[C:21]([CH3:22])(=[O:23])[c:24]1[c:25]([NH2:26])[cH:27][cH:28][cH:29][cH:30]1.[C:31]([O:32][CH2:33][CH3:34])(=[O:35])[CH3:36].[C:37]([OH:38])(=[O:39])[CH3:40]>>[Br:1][c:2]1[cH:3][c:4]2[c:5]3[n:6]([c:7](=[O:13])[c:8](=[O:12])[nH:9][c:10]3[cH:11]1)[CH:14]([CH2:17][C:18](=[O:19])[NH:26][c:25]1[c:24]([C:21]([CH3:22])=[O:23])[cH:30][cH:29][cH:28][cH:27]1)[CH2:15][CH2:16]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 8857Ethyl AcetateHCID 110862'-AminoacetophenoneHCID 104723389-bromo-5-carboxymethyl-6,7-dihydro-1H, 5 H-pyrido[1,2,3-de]quinoxaline-2,3-dione

Product 1

HCID 542006519-Bromo-5-(o-acetylphenylcarbamoylmethyl)-6,7-dihydro-1H, 5H-pyrido[1,2,3-de]quinoxaline-2,3-dione

Sources & evidence

ORD record
ord-8653023200194a8db65e00c1bd61bcda
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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