Bicarbonate Ion → 5-Bromo-5,6,7,8-tetrahydroquinoxaline

HRID 179658Notes

Reaction equation

HRID 179658 reaction equation
[Br:11][NH:12][C:13](=[O:14])[CH2:15][CH2:16][C:17]([NH2:18])=[O:19].[C:20]([O:21][O:22][C:23](=[O:24])[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)(=[O:31])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[C:38](=[O:39])([OH:40])[O-:41].[Cl:43][C:44]([Cl:45])([Cl:46])[Cl:47].[Na+:42].[n:1]1[cH:2][cH:3][n:4][c:5]2[c:10]1[CH2:9][CH2:8][CH2:7][CH2:6]2>>[n:1]1[cH:2][cH:3][n:4][c:5]2[c:10]1[CH:9]([Br:11])[CH2:8][CH2:7][CH2:6]2

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 5943Carbon TetrachlorideHCID 7187Benzoyl PeroxideHCID 368225,6,7,8-TetrahydroquinoxalineHCID 9834204N-Bromosuccinamide

Product 1

HCID 177500155-Bromo-5,6,7,8-tetrahydroquinoxaline

Sources & evidence

ORD record
ord-abf6ec322be5448ea0fc879def25be86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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