Acetate → 4-Cyclopropyl-2-chloro-3,5-difluoroaniline

HRID 199592Notes

Reaction equation

HRID 199592 reaction equation
[Br:1][c:2]1[c:3]([F:11])[c:4]([Cl:10])[c:5]([NH2:6])[cH:7][c:8]1[F:9].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH:12]1([B:15]([OH:16])[OH:17])[CH2:13][CH2:14]1.[CH:26]1([P:27]([CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[CH:34]2[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2)[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]1.[K+:23].[K+:24].[K+:25].[O-:54][C:55]([CH3:56])=[O:57].[O-:58][C:59]([CH3:60])=[O:61].[OH2:52].[P:18]([O-:19])([O-:20])([O-:21])=[O:22].[Pd+2:53]>>[c:2]1([CH:12]2[CH2:13][CH2:14]2)[c:3]([F:11])[c:4]([Cl:10])[c:5]([NH2:6])[cH:7][c:8]1[F:9]

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 2760897Cyclopropylboronic acidHCID 184515214-Bromo-2-chloro-3,5-difluoroaniline

Product 1

HCID 184515254-Cyclopropyl-2-chloro-3,5-difluoroaniline

Sources & evidence

ORD record
ord-d1e02e560c3349a48ab76a00750d0efb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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