Acetate → Tert-butyl 4-bromo-2-(4-fluoroanilino)benzoate

HRID 2331009Notes

Reaction equation

HRID 2331009 reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[C:37]([O-:38])(=[O:39])[CH3:40].[C:42]([O-:43])(=[O:44])[CH3:45].[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[Cs+:35].[Cs+:36].[F:23][c:24]1[cH:25][cH:26][c:27]([I:30])[cH:28][cH:29]1.[NH2:8][c:9]1[c:10]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[cH:18][cH:19][c:20]([Br:22])[cH:21]1.[OH2:46].[Pd+2:41]>>[NH:8]([c:9]1[c:10]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[cH:18][cH:19][c:20]([Br:22])[cH:21]1)[c:27]1[cH:26][cH:25][c:24]([F:23])[cH:29][cH:28]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 962WaterHCID 1140TolueneHCID 96054-FluoroiodobenzeneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 58508534Tert-butyl 2-amino-4-bromobenzoate

Product 1

HCID 68956988Tert-butyl 4-bromo-2-(4-fluoroanilino)benzoate

Sources & evidence

ORD record
ord-934a67f16a1a406ca7c5b30ffbc8b038
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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