Acetate → Methyl (2E)-3-{3-fluoro-2-[({[2-methoxy-5-trifluoromethyl-phenyl]amino}carbonyl)amino]phenyl}-acrylate

HRID 1564396Notes

Reaction equation

HRID 1564396 reaction equation
[C:24]([CH:25]=[CH2:26])(=[O:27])[O:28][CH3:29].[C:34]([O-:35])(=[O:36])[CH3:37].[C:39]([O-:40])(=[O:41])[CH3:42].[CH3:30][C:31](=[O:32])[OH:33].[F:1][c:2]1[c:3]([NH:8][C:9](=[O:10])[NH:11][c:12]2[c:13]([O:22][CH3:23])[cH:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]2)[cH:4][cH:5][cH:6][cH:7]1.[Pd+2:38]>>[F:1][c:2]1[c:3]([NH:8][C:9](=[O:10])[NH:11][c:12]2[c:13]([O:22][CH3:23])[cH:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]2)[c:4]([CH:26]=[CH:25][C:24](=[O:27])[O:28][CH3:29])[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 175Acetate2×HCID 176Acetic AcidHCID 7294Methyl AcrylateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 57857532N-(2-fluorophenyl)-N'-[2-methoxy-5-(trifluoromethyl)phenyl]urea

Product 1

HCID 76644879Methyl (2E)-3-{3-fluoro-2-[({[2-methoxy-5-trifluoromethyl-phenyl]amino}carbonyl)amino]phenyl}-acrylate

Sources & evidence

ORD record
ord-e685817712644649a7568a2dbb790b72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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