Potassium Cation → 2-(4-(2-(1-isopropyl-3-(methoxymethyl)-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 173085Notes

Reaction equation

HRID 173085 reaction equation
[Br:39][CH2:40][C:41](=[O:42])[NH2:43].[C:44](=[O:45])([O-:46])[O-:47].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH:8]([CH3:9])([CH3:10])[n:11]1[n:12][c:13]([CH2:36][O:37][CH3:38])[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:55][CH2:56][Cl:57].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[K+:48].[K+:49].[OH2:58]>>[CH:8]([CH3:9])([CH3:10])[n:11]1[n:12][c:13]([CH2:36][O:37][CH3:38])[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]([CH2:40][C:41](=[O:42])[NH2:43])[CH2:34][CH2:35]3)[cH:27][cH:26]1)[O:21][CH2:20][CH2:19]2

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 696322-BromoacetamideHCID 582043442-[5-(Methoxymethyl)-2-propan-2-yl-1,2,4-triazol-3-yl]-9-piperidin-4-yl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine

Product 1

HCID 582050202-(4-(2-(1-isopropyl-3-(methoxymethyl)-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-f18dbffe942f4df49d8fbc81df74540a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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