Acetate → 7-Phenyl-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one

HRID 1560914Notes

Reaction equation

HRID 1560914 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:11][cH:12]1)[O:6][CH2:7][C:8](=[O:10])[NH:9]2.[C:41](=[O:42])([O-:43])[O-:44].[C:51]([O-:52])(=[O:53])[CH3:54].[C:56]([O-:57])(=[O:58])[CH3:59].[CH3:47][C:48]#[N:49].[K+:45].[K+:46].[OH2:50].[Pd+2:55].[c:13]1([B:19]([OH:20])[OH:21])[cH:14][cH:15][cH:16][cH:17][cH:18]1.[c:22]1([P:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[c:2]1(-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:3][c:4]2[c:5]([n:11][cH:12]1)[O:6][CH2:7][C:8](=[O:10])[NH:9]2

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 66827Phenylboronic AcidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45901417-bromo-1H,2H,3H-pyrido[2,3-b][1,4]oxazin-2-one

Product 1

HCID 669367437-Phenyl-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one

Sources & evidence

ORD record
ord-5b221df852264f108b7b7e080dd89c00
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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