Potassium Cation → N-tert-butyl-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)acetamide

HRID 664601Notes

Reaction equation

HRID 664601 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[C:42]([CH3:43])([CH3:44])([CH3:45])[NH:46][C:47]([CH2:48][Cl:49])=[O:50].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]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:56][CH2:57][Cl:58].[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]([CH2:48][C:47]([NH:46][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:50])[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 222440N-tert-butyl-2-chloroacetamideHCID 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 51348057N-tert-butyl-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)acetamide

Sources & evidence

ORD record
ord-4d273cb1a68b466bb77892b6c2a99783
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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