Sodium ion → 9-Bromo-2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine

HRID 2137207Notes

Reaction equation

HRID 2137207 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:25])[c:5](-[c:8]2[n:9]([CH2:22][CH2:23][OH:24])[cH:10][c:11](-[c:13]3[n:14]([CH:19]([CH3:20])[CH3:21])[n:15][c:16]([CH3:18])[n:17]3)[n:12]2)[cH:6][cH:7]1.[H-:26].[Na+:27].[O:28]=[CH:29][N:30]([CH3:31])[CH3:32]>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)-[c:8]1[n:9]([cH:10][c:11](-[c:13]3[n:14]([CH:19]([CH3:20])[CH3:21])[n:15][c:16]([CH3:18])[n:17]3)[n:12]1)[CH2:22][CH2:23][O:24]2

Participants

5

Reactant 4

HCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 582044142-(2-(4-Bromo-2-fluorophenyl)-4-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-1-yl)ethanol

Product 1

HCID 582043229-Bromo-2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine

Sources & evidence

ORD record
ord-faf9696ade3e4bebbbb5e4e607b38e07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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