Acetate → methyl 2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine-9-carboxylate

HRID 2323205Notes

Reaction equation

HRID 2323205 reaction equation
[C:28](=[O:29])([O-:30])[O-:31].[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[CH:20]([CH3:21])([CH3:22])[n:23]1[n:24][cH:25][n:26][cH:27]1.[Cs+:32].[Cs+:33].[Cu:37][I:38].[I:1][c:2]1[n:3][c:4]2[n:5]([cH:19]1)[CH2:6][CH2:7][O:8][c:9]1[c:10]-2[cH:11][cH:12][c:13]([C:15](=[O:16])[O:17][CH3:18])[cH:14]1.[NH4+:36].[O-:40][C:41]([CH3:42])=[O:43].[O-:44][C:45]([CH3:46])=[O:47].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH-:35].[OH2:34].[Pd+2:39]>>[c:2]1(-[c:27]2[n:23]([CH:20]([CH3:21])[CH3:22])[n:24][cH:25][n:26]2)[n:3][c:4]2[n:5]([cH:19]1)[CH2:6][CH2:7][O:8][c:9]1[c:10]-2[cH:11][cH:12][c:13]([C:15](=[O:16])[O:17][CH3:18])[cH:14]1

Participants

13

Reactant 12

HCID 175Acetate2×HCID 223AmmoniumHCID 961HydroxideHCID 962WaterHCID 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 58204516Methyl 2-iodo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-9-carboxylate

Product 1

HCID 58204510methyl 2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine-9-carboxylate

Sources & evidence

ORD record
ord-6a6aae73150e47dfab50fbdcd773aad4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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