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

HRID 1138944Notes

Reaction equation

HRID 1138944 reaction equation
[Br:24][CH2:25][C:26](=[O:27])[NH2:28].[C:29](=[O:30])([O-:31])[O-:32].[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.[Cs+:33].[Cs+:34].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[OH2:40]>>[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][CH2:25][C:26](=[O:27])[NH2:28])[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 696322-BromoacetamideHCID 104967Cesium cation2×HCID 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 582047592-[[2-(2-Propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]oxy]acetamide

Sources & evidence

ORD record
ord-b1df66f5cbe343939c6da9eadc696e31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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