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

HRID 115459Notes

Reaction equation

HRID 115459 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[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:42][CH2:43][C:44](=[O:45])[N:46]([CH3:47])[CH3:48].[Cl:54][CH2:55][Cl:56].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[K+:40].[K+:41]>>[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][C:44](=[O:45])[N:46]([CH3:47])[CH3:48])[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 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 758862-chloro-N,N-dimethylacetamideHCID 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 582044662-(4-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)piperidin-1-yl)-N,N-dimethylacetamide

Sources & evidence

ORD record
ord-bc4c63ccb39642e19cc93f9e7f4e16a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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