Acetate → 2,2-bis(fluoromethyl)-N-(2-cyanoethyl)-6-trifluoromethyl-2H-1-benzopyran-4-carboxamide

HRID 2341948Notes

Reaction equation

HRID 2341948 reaction equation
[Br:1][C:2]1=[CH:3][C:4]([CH2:16][F:17])([CH2:18][F:19])[O:5][c:6]2[c:7]1[cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]2.[C:20](#[N:21])[CH2:22][CH2:23][NH2:24].[C:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[CH3:47][N:48]([C:49](=[O:51])[CH3:52])[CH3:50].[ClH:46].[I-:26].[K+:25].[Pd+2:57].[c:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[C:2]1([C:49]([NH:24][CH2:23][CH2:22][C:20]#[N:21])=[O:51])=[CH:3][C:4]([CH2:16][F:17])([CH2:18][F:19])[O:5][c:6]2[c:7]1[cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]2

Participants

10

Reactant 9

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 813Potassium CationHCID 16473-AminopropionitrileHCID 11776TriphenylphosphineHCID 30165Iodide IonHCID 31374DimethylacetamideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 184244094-bromo-2,2-bis(fluoromethyl)-6-trifluoromethyl-2H-1-benzopyran

Product 1

HCID 99507522,2-bis(fluoromethyl)-N-(2-cyanoethyl)-6-trifluoromethyl-2H-1-benzopyran-4-carboxamide

Sources & evidence

ORD record
ord-b1eb099aa98543f09c5e9ec2228754ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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