Acetate → 5-[2-Bromo-4-(3-oxo-2,3-diphenyl-propyl)-phenyl]-2-tert-butyl-1,1-dioxo-1,2-dihydro-1lambda6-isothiazol-3-one

HRID 86705Notes

Reaction equation

HRID 86705 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH2:9][CH:10]([C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:5][cH:6][c:7]1[I:8].[C:25]([CH3:26])([CH3:27])([CH3:28])[N:29]1[S:30](=[O:35])(=[O:36])[CH:31]=[CH:32][C:33]1=[O:34].[C:49]([O-:50])(=[O:51])[CH3:52].[C:54]([O-:55])(=[O:56])[CH3:57].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[Pd+2:53]>>[Br:1][c:2]1[cH:3][c:4]([CH2:9][CH:10]([C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:5][cH:6][c:7]1[C:31]1=[CH:32][C:33](=[O:34])[N:29]([C:25]([CH3:26])([CH3:27])[CH3:28])[S:30]1(=[O:35])=[O:36]

Participants

7

Reactant 6

HCID 175Acetate2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 111168162-Tert-butyl-2,3-dihydro-1lambda6,2-thiazole-1,1,3-trioneHCID 218787833-(3-Bromo-4-iodo-phenyl)-1,2-diphenyl-propan-1-one

Product 1

HCID 587465655-[2-Bromo-4-(3-oxo-2,3-diphenyl-propyl)-phenyl]-2-tert-butyl-1,1-dioxo-1,2-dihydro-1lambda6-isothiazol-3-one

Sources & evidence

ORD record
ord-2947ed520d4a447192545595715f27b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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