Acetate → Methyl 4-anilino-2-(4-fluoroanilino)benzoate

HRID 179377Notes

Reaction equation

HRID 179377 reaction equation
[C:20](=[O:21])([O-:22])[O-:23].[C:33]([O-:34])(=[O:35])[CH3:36].[C:38]([O-:39])(=[O:40])[CH3:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cs+:24].[Cs+:25].[F:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[c:8]([C:9](=[O:10])[O:11][CH3:12])[cH:13][cH:14][c:15]([I:17])[cH:16]2)[cH:18][cH:19]1.[NH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[Pd+2:37]>>[F:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[c:8]([C:9](=[O:10])[O:11][CH3:12])[cH:13][cH:14][c:15]([NH:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:16]2)[cH:18][cH:19]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 1140TolueneHCID 6115AnilineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 57667861Methyl 2-(4-fluoroanilino)-4-iodobenzoate

Product 1

HCID 57667985Methyl 4-anilino-2-(4-fluoroanilino)benzoate

Sources & evidence

ORD record
ord-badf1789cb484d489e8910831a5b2e25
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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