Potassium Cation → 2-[[2-(2-Propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]oxy]propanamide

HRID 2157208Notes

Reaction equation

HRID 2157208 reaction equation
[C:24]([NH2:25])(=[O:26])[CH:27]([CH3:28])[O:29][S:30]([CH3:31])(=[O:32])=[O:33].[C:34](=[O:35])([O-:36])[O-:37].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[cH:10][n:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([OH:23])[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2.[K+:38].[K+:39].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:45]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[cH:10][n:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([O:23][CH:27]([C:24]([NH2:25])=[O:26])[CH3:28])[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 76702056(1-Amino-1-oxopropan-2-yl) methanesulfonateHCID 1360309202-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulen-8-ol

Product 1

HCID 767019642-[[2-(2-Propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]oxy]propanamide

Sources & evidence

ORD record
ord-c42ee363e8ab4beda0887716f9324046
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…