Water → 7-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one

HRID 1139687Notes

Reaction equation

HRID 1139687 reaction equation
[Br:22][c:23]1[cH:24][c:25](=[O:30])[n:26]([CH3:29])[cH:27][cH:28]1.[C:31](=[O:32])([O-:33])[O-:34].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:20]2)[C:14](=[O:19])[NH:15][CH2:16][CH2:17][O:18]3)[O:21]1.[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[Cs+:35].[Cs+:36].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:48]>>[c:9]1(-[c:23]2[cH:24][c:25](=[O:30])[n:26]([CH3:29])[cH:27][cH:28]2)[cH:10][cH:11][c:12]2[c:13]([cH:20]1)[C:14](=[O:19])[NH:15][CH2:16][CH2:17][O:18]2

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 221323964-Bromo-1-methylpyridin-2(1H)-oneHCID 711830947-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one

Product 1

HCID 711830677-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one

Sources & evidence

ORD record
ord-b646e71c644c415c98328b5abbb52a10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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