Hydrogen Bromide → (+/-)-Pyridine-2-carboxylic acid (4-oxo-2-pyrimidin-4-yl-4,5,6,7,8,9-hexahydro-1,4a,7-triaza-benzocyclohepten-9-yl)-amide

HRID 199889Notes

Reaction equation

HRID 199889 reaction equation
[BrH:33].[CH2:1]([O:2][C:3](=[O:4])[N:6]1[CH2:7][CH2:8][n:9]2[c:10]([n:22][c:23](-[c:27]3[n:28][cH:29][n:30][cH:31][cH:32]3)[cH:24][c:25]2=[O:26])[CH:11]([NH:13][C:14](=[O:15])[c:16]2[n:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:12]1)[CH3:5]>>[NH:6]1[CH2:7][CH2:8][n:9]2[c:10]([n:22][c:23](-[c:27]3[n:28][cH:29][n:30][cH:31][cH:32]3)[cH:24][c:25]2=[O:26])[CH:11]([NH:13][C:14](=[O:15])[c:16]2[n:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:12]1

Participants

3

Reactant 2

HCID 260Hydrogen BromideHCID 44158890Ethyl 6,7,9,10-tetrahydro-4-oxo-10-[(2-pyridinylcarbonyl)amino]-2-(4-pyrimidinyl)pyrimido[1,2-d][1,4]diazepine-8(4H)-carboxylate

Product 1

HCID 44158892(+/-)-Pyridine-2-carboxylic acid (4-oxo-2-pyrimidin-4-yl-4,5,6,7,8,9-hexahydro-1,4a,7-triaza-benzocyclohepten-9-yl)-amide

Sources & evidence

ORD record
ord-d51f424554ef4f5695b37f6981aeb2c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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