Potassium Cation → methyl 7-(4-(4-methoxyphenyl)-1H-imidazol-1-yl)-5-methyl-2,3-dihydrobenzo[b]oxepine-4-carboxylate

HRID 207710Notes

Reaction equation

HRID 207710 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:16][cH:17]1)[O:6][CH2:7][CH2:8][C:9]([C:12](=[O:13])[O:14][CH3:15])=[C:10]2[CH3:11].[C:31](=[O:32])([O-:33])[O-:34].[CH3:18][O:19][c:20]1[cH:21][cH:22][c:23](-[c:26]2[n:27][cH:28][nH:29][cH:30]2)[cH:24][cH:25]1.[CH3:37][C:38]([CH3:39])([C:40](=[O:41])[CH2:42][C:43](=[O:44])[C:45]([CH3:46])([CH3:47])[CH3:48])[CH3:49].[Cu:50][I:51].[K+:35].[K+:36].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[c:2]1(-[n:29]2[cH:28][n:27][c:26](-[c:23]3[cH:22][cH:21][c:20]([O:19][CH3:18])[cH:25][cH:24]3)[cH:30]2)[cH:3][c:4]2[c:5]([cH:16][cH:17]1)[O:6][CH2:7][CH2:8][C:9]([C:12](=[O:13])[O:14][CH3:15])=[C:10]2[CH3:11]

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 707002,2,6,6-Tetramethyl-3,5-heptanedioneHCID 71061088Methyl 7-bromo-5-methyl-2,3-dihydrobenzo[b]oxepine-4-carboxylateHCID 178418716HCID 178418716, compound

Product 1

HCID 71062477methyl 7-(4-(4-methoxyphenyl)-1H-imidazol-1-yl)-5-methyl-2,3-dihydrobenzo[b]oxepine-4-carboxylate

Sources & evidence

ORD record
ord-ae54ac64af1d4dd886a491b12f7df1e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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