Acetate → 3-(4-cyano-5-ethylsulfonylamino-2-fluorophenyl)-1-methyl-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione

HRID 2345923Notes

Reaction equation

HRID 2345923 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:27])[c:5](-[n:14]2[c:15](=[O:26])[n:16]([CH3:25])[c:17]([C:21]([F:22])([F:23])[F:24])[cH:18][c:19]2=[O:20])[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[CH2:12][CH3:13].[C:33]([O-:34])(=[O:35])[CH3:36].[C:38]([O-:39])(=[O:40])[CH3:41].[Cl-:42].[Cl-:44].[H-:28].[Na+:29].[Na:30][C:31]#[N:32].[Pd+2:37].[Zn+2:43]>>[c:2]1([C:31]#[N:32])[cH:3][c:4]([F:27])[c:5](-[n:14]2[c:15](=[O:26])[n:16]([CH3:25])[c:17]([C:21]([F:22])([F:23])[F:24])[cH:18][c:19]2=[O:20])[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[CH2:12][CH3:13]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 312Chloride2×HCID 923Sodium ionHCID 32051Zinc(2+)HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 166653HydrideHCID 108744063-(4-bromo-5-ethylsulfonylamino-2-fluorophenyl)-1-methyl-6-trifluoromethyl-2,4(1H,3H)pyrimidinedioneHCID 178511850HCID 178511850, compound

Product 1

HCID 110910773-(4-cyano-5-ethylsulfonylamino-2-fluorophenyl)-1-methyl-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione

Sources & evidence

ORD record
ord-696f4c16edcd4b24a1cca8fd2699320a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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