Acetate → 4,4-Dimethyl-1-phenyl-2-(adamantan-2-yl)-1,2-diazetidin-3-one

HRID 93595Notes

Reaction equation

HRID 93595 reaction equation
[Br:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[C:18]([P:19]([C:20]([CH3:21])([CH3:22])[CH3:23])[C:24]([CH3:25])([CH3:26])[CH3:27])([CH3:28])([CH3:29])[CH3:30].[C:51]([O-:52])(=[O:53])[CH3:54].[C:56]([O-:57])(=[O:58])[CH3:59].[CH3:31][C:32]([CH3:33])([O-:34])[CH3:35].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH:1]12[CH:2]([N:11]3[NH:12][C:13]([CH3:16])([CH3:17])[C:14]3=[O:15])[CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[Na+:36].[OH2:60].[Pd+2:55]>>[CH:1]12[CH:2]([N:11]3[N:12]([c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[C:13]([CH3:16])([CH3:17])[C:14]3=[O:15])[CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 7961BromobenzeneHCID 83681Tris(1,1-dimethylethyl)phosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 673028822-(Adamantan-2-yl)-4,4-dimethyl-1,2-diazetidin-3-one

Product 1

HCID 593615264,4-Dimethyl-1-phenyl-2-(adamantan-2-yl)-1,2-diazetidin-3-one

Sources & evidence

ORD record
ord-8892e51726914f39896ae88afcb521a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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