Potassium Cation → 2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-9-(1-(2-methoxyethyl)piperidin-4-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine

HRID 103408Notes

Reaction equation

HRID 103408 reaction equation
[Br:42][CH2:43][CH2:44][O:45][CH3:46].[C:36](=[O:37])([O-:38])[O-:39].[CH:8]([CH3:9])([CH3:10])[n:11]1[n:12][cH:13][n:14][c:15]1-[c:16]1[cH:17][n:18]2[c:24]([n:25]1)-[c:23]1[c:22]([cH:29][c:28]([CH:30]3[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]3)[cH:27][cH:26]1)[O:21][CH2:20][CH2:19]2.[Cl:52][CH2:53][Cl:54].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[K+:40].[K+:41].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[CH:8]([CH3:9])([CH3:10])[n:11]1[n:12][cH:13][n:14][c:15]1-[c:16]1[cH:17][n:18]2[c:24]([n:25]1)-[c:23]1[c:22]([cH:29][c:28]([CH:30]3[CH2:31][CH2:32][N:33]([CH2:43][CH2:44][O:45][CH3:46])[CH2:34][CH2:35]3)[cH:27][cH:26]1)[O:21][CH2:20][CH2:19]2

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 809722-Bromoethyl methyl etherHCID 582045509-Piperidin-4-yl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine

Product 1

HCID 582043602-(1-isopropyl-1H-1,2,4-triazol-5-yl)-9-(1-(2-methoxyethyl)piperidin-4-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine

Sources & evidence

ORD record
ord-e5e58802304046ca81f3d830c09437d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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