Acetate → Methyl 3-iodo-2-(1,1-dimethyl-2-methylsulfinylethylaminocarbonyl)-benzoate

HRID 2161265Notes

Reaction equation

HRID 2161265 reaction equation
[C:39]([O-:40])(=[O:41])[CH3:42].[C:44]([O-:45])(=[O:46])[CH3:47].[CH3:12][C:13]([CH2:14][S:15](=[O:16])[CH3:17])([CH3:18])[NH:19][C:20](=[O:21])[c:22]1[c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29][cH:30][cH:31]1.[CH3:32][N:33]1[CH2:34][CH2:35][CH2:36][C:37]1=[O:38].[I:1][N:2]1[C:3]([CH3:4])([CH3:5])[C:6](=[O:7])[N:8]([I:9])[C:10]1=[O:11].[OH2:48].[Pd+2:43]>>[I:1][c:31]1[c:22]([C:20]([NH:19][C:13]([CH3:12])([CH2:14][S:15](=[O:16])[CH3:17])[CH3:18])=[O:21])[c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29][cH:30]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2005341,3-Diiodo-5,5-dimethylimidazolidine-2,4-dioneHCID 69343931Methyl 2-(1,1-dimethyl-2-methylsulfinylethylaminocarbonyl)benzoate

Product 1

HCID 12010603Methyl 3-iodo-2-(1,1-dimethyl-2-methylsulfinylethylaminocarbonyl)-benzoate

Sources & evidence

ORD record
ord-af413dc4dc3b48b084d8f779f4ec129a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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