Potassium Cation → 4-Nitroso-3-phenyl-3,4-dihydro-2H-1,4-benzoxazine

HRID 166112Notes

Reaction equation

HRID 166112 reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[CH2:37]([O:38][CH2:39][CH3:40])[CH3:41].[K+:35].[K+:36].[N:24](=[O:25])[O:26][CH2:27][CH2:28][CH2:29][CH3:30].[OH2:42].[OH:17][C:18]([C:19]([F:20])([F:21])[F:22])=[O:23].[c:1]1([CH:7]2[CH2:8][O:9][c:10]3[c:11]([cH:13][cH:14][cH:15][cH:16]3)[NH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]2[CH2:8][O:9][c:10]3[c:11]([cH:13][cH:14][cH:15][cH:16]3)[N:12]2[N:24]=[O:25])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 3283Diethyl EtherHCID 6422Trifluoroacetic acidHCID 10996Butyl nitriteHCID 19660Carbonate IonHCID 124745723-phenyl-3,4-dihydro-2H-1,4-benzoxazine

Product 1

HCID 121486174-Nitroso-3-phenyl-3,4-dihydro-2H-1,4-benzoxazine

Sources & evidence

ORD record
ord-2552ebe4c768491d885d639bfd9183fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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