Acetate → Tert-butyl 2-(4-fluoroanilino)-4-phenethylbenzoate

HRID 284493Notes

Reaction equation

HRID 284493 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[C:44]([O-:45])(=[O:46])[CH3:47].[C:49]([O-:50])(=[O:51])[CH3:52].[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[Cs+:42].[Cs+:43].[F:30][c:31]1[cH:32][cH:33][c:34]([I:37])[cH:35][cH:36]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]([CH2:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:21]1.[OH2:53].[Pd+2:48]>>[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]([CH2:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:21]1)[c:34]1[cH:33][cH:32][c:31]([F:30])[cH:36][cH:35]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 58508624Tert-butyl 2-amino-4-phenethylbenzoate

Product 1

HCID 68959395Tert-butyl 2-(4-fluoroanilino)-4-phenethylbenzoate

Sources & evidence

ORD record
ord-1b44b9b8c69b485a8347735105194be1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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