Acetate → 6-(2-Hydroxy-2-methylpropyl)-3-[1-(6-methoxy-3-pyridinyl)piperidin-3-yl]-6-phenyl-1,3-oxazinan-2-one

HRID 692194Notes

Reaction equation

HRID 692194 reaction equation
[C:49]([O-:50])(=[O:51])[CH3:52].[C:54]([O-:55])(=[O:56])[CH3:57].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([B:9]([OH:10])[OH:11])[cH:7][n:8]1.[CH3:46][C:47]#[N:48].[Cu+2:53].[F-:12].[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44].[K+:13].[O:45].[OH:14][C:15]([CH2:16][C:17]1([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:18][CH2:19][N:20]([CH:24]2[CH2:25][NH:26][CH2:27][CH2:28][CH2:29]2)[C:21](=[O:23])[O:22]1)([CH3:36])[CH3:37]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:26]2[CH2:25][CH:24]([N:20]3[CH2:19][CH2:18][C:17]([CH2:16][C:15]([OH:14])([CH3:36])[CH3:37])([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[O:22][C:21]3=[O:23])[CH2:29][CH2:28][CH2:27]2)[cH:7][n:8]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium CationHCID 962WaterHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 27099Cupric cationHCID 28179Fluoride IonHCID 2734368(6-Methoxypyridin-3-yl)boronic acidHCID 667466566-(2-Hydroxy-2-methylpropyl)-6-phenyl-3-piperidin-3-yl-1,3-oxazinan-2-one

Product 1

HCID 670198506-(2-Hydroxy-2-methylpropyl)-3-[1-(6-methoxy-3-pyridinyl)piperidin-3-yl]-6-phenyl-1,3-oxazinan-2-one

Sources & evidence

ORD record
ord-05270369d92d4039867870fbb4b2262c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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