Acetate → 10-bromo-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine

HRID 1137349Notes

Reaction equation

HRID 1137349 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:16]1)-[c:7]1[n:8]([cH:12][c:13]([I:15])[n:14]1)[CH2:9][CH2:10][O:11]2.[C:25](=[O:26])([O-:27])[O-:28].[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[CH:17]([CH3:18])([CH3:19])[n:20]1[n:21][cH:22][n:23][cH:24]1.[Cs+:29].[Cs+:30].[Cu:42][I:43].[O-:45][C:46]([CH3:47])=[O:48].[O-:49][C:50]([CH3:51])=[O:52].[O:31]=[CH:32][N:33]([CH3:34])[CH3:35].[Pd+2:44]>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:16]1)-[c:7]1[n:8]([cH:12][c:13](-[c:24]3[n:20]([CH:17]([CH3:18])[CH3:19])[n:21][cH:22][n:23]3)[n:14]1)[CH2:9][CH2:10][O:11]2

Participants

10

Reactant 9

HCID 175Acetate2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 127624431-(propan-2-yl)-1H-1,2,4-triazoleHCID 5820440710-Bromo-2-iodo-5,6-dihydrobenzo[F]imidazo[1,2-D][1,4]oxazepine

Product 1

HCID 5820501010-bromo-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine

Sources & evidence

ORD record
ord-e027ead0ec324082be8b7f6754fb41f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…