Acetate → 4-Cyclopropyl-2-fluoroaniline

HRID 2142020Notes

Reaction equation

HRID 2142020 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:9])[c:5]([NH2:6])[cH:7][cH:8]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH:10]1([B:13]([OH:14])[OH:15])[CH2:11][CH2:12]1.[CH:16]1([P:17]([CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]1.[K+:40].[K+:41].[K+:42].[O-:52][C:53]([CH3:54])=[O:55].[O-:56][C:57]([CH3:58])=[O:59].[OH2:50].[P:35]([O-:36])([O-:37])([O-:38])=[O:39].[Pd+2:51]>>[c:2]1([CH:10]2[CH2:11][CH2:12]2)[cH:3][c:4]([F:9])[c:5]([NH2:6])[cH:7][cH:8]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 1230504-Bromo-2-fluoroanilineHCID 2760897Cyclopropylboronic acid

Product 1

HCID 201000714-Cyclopropyl-2-fluoroaniline

Sources & evidence

ORD record
ord-43f11defafce404dad2001bf93293dfb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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