Sodium ion → 4-[Bromo(difluoro)methoxy]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile

HRID 107311

Reaction equation

[Br:21][C:22]([F:23])([F:24])[Br:25].[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[H-:26].[Na+:27].[O:1]=[c:2]1[c:3]([C:19]#[N:20])[c:4]([N:8]2[CH2:9][CH2:10][c:11]3[c:12]([cH:15][cH:16][cH:17][cH:18]3)[CH2:13][CH2:14]2)[n:5][cH:6][nH:7]1>>[O:1]([c:2]1[c:3]([C:19]#[N:20])[c:4]([N:8]2[CH2:9][CH2:10][c:11]3[c:12]([cH:15][cH:16][cH:17][cH:18]3)[CH2:13][CH2:14]2)[n:5][cH:6][n:7]1)[C:22]([Br:21])([F:23])[F:24]

Participants

Reactant 5

HCID 923Sodium ion

HCID 6228Dimethylformamide

HCID 6382Dibromodifluoromethane

HCID 166653Hydride

HCID 1355464926-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile

Product 1

HCID 158881524-[Bromo(difluoro)methoxy]-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile

Sources & evidence

ORD record: ord-f2e95d3e8f9b4450a3496fd305b52666
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Linked notes

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