Hydrogen Bromide → (5-(9-bromo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-2-yl)-1-isopropyl-1H-1,2,4-triazol-3-yl)methanol

HRID 157635Notes

Reaction equation

HRID 157635 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:25][cH:26]1)-[c:6]1[n:7][c:8](-[c:14]3[n:15]([CH:22]([CH3:23])[CH3:24])[n:16][c:17]([CH2:19][O:20][CH3:21])[n:18]3)[cH:9][n:10]1[CH2:11][CH2:12][O:13]2.[BrH:33].[Na+:27].[Na+:28].[O-:29][C:30](=[O:31])[O-:32]>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:25][cH:26]1)-[c:6]1[n:7][c:8](-[c:14]3[n:15]([CH:22]([CH3:23])[CH3:24])[n:16][c:17]([CH2:19][OH:20])[n:18]3)[cH:9][n:10]1[CH2:11][CH2:12][O:13]2

Participants

5

Reactant 4

HCID 260Hydrogen BromideHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 582043878-Bromo-2-(2-isopropyl-5-methoxymethyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulene

Product 1

HCID 58204744(5-(9-bromo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-2-yl)-1-isopropyl-1H-1,2,4-triazol-3-yl)methanol

Sources & evidence

ORD record
ord-09fdbf4b717e4c37b7c0da9840dc6eff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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