Potassium Cation → 4-chloro-6-(4-iodophenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5(6H)-one

Reaction equation

[C:22](=[O:23])([O-:24])[O-:25].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]([Cl:21])[c:7]1[C:8](=[O:9])[N:10]([c:11]1[cH:12][cH:13][c:14]([I:17])[cH:15][cH:16]1)[CH2:18][CH2:19][OH:20].[K+:26].[K+:27].[O:28]=[CH:29][N:30]([CH3:31])[CH3:32]>>[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]2[c:7]1[C:8](=[O:9])[N:10]([c:11]1[cH:12][cH:13][c:14]([I:17])[cH:15][cH:16]1)[CH2:18][CH2:19][O:20]2

Participants

Reactant 4

HCID 813Potassium Cation2×

HCID 6228Dimethylformamide

HCID 19660Carbonate Ion

HCID 593025124,6-dichloro-N-(2-hydroxyethyl)-N-(4-iodophenyl)pyrimidine-5-carboxamide

Product 1

HCID 593025014-chloro-6-(4-iodophenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5(6H)-one

Sources & evidence

ORD record: ord-3119e1782b8f4dbcb74b6c3aae2fe1c9
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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