Acetate → Tert-butyl 3-(4,6-bistrifluoromethylpyridin-2-yl)propylcarbamate

HRID 1229891Notes

Reaction equation

HRID 1229891 reaction equation
[Br:21][c:22]1[n:23][c:24]([C:32]([F:33])([F:34])[F:35])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1.[CH2:1]([CH:2]=[CH2:3])[NH:4][C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH:12]12[CH2:13][CH2:14][CH2:15][CH:16]([BH:17]1)[CH2:18][CH2:19][CH2:20]2.[K+:36].[K+:37].[O-:38][C:39]([O-:40])=[O:41].[O-:53][C:54]([CH3:55])=[O:56].[O-:57][C:58]([CH3:59])=[O:60].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:61].[Pd+2:52]>>[CH2:1]([CH2:2][CH2:3][c:22]1[n:23][c:24]([C:32]([F:33])([F:34])[F:35])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)[NH:4][C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11]

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 789669-Borabicyclo(3.3.1)nonaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 4067274tert-butyl N-(prop-2-en-1-yl)carbamateHCID 85875928Pyridine, 2-bromo-4,6-bis(trifluoromethyl)-

Product 1

HCID 86650694Tert-butyl 3-(4,6-bistrifluoromethylpyridin-2-yl)propylcarbamate

Sources & evidence

ORD record
ord-c74b4326c55b42e68798406219d2eb3a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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