Acetate → 2-Hydroxy-5-phenylethenyl-N-[3,5-bis(trifluoromethyl)phenyl]benzamide

HRID 1561811Notes

Reaction equation

HRID 1561811 reaction equation
[C:63]([O-:64])(=[O:65])[CH3:66].[C:68]([O-:69])(=[O:70])[CH3:71].[CH2:26]=[CH:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[CH3:73][N:74]([CH3:75])[CH:76]=[O:77].[CH:56]([NH:57][CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14]([c:15]2[c:16]([OH:22])[cH:17][cH:18][c:19]([I:21])[cH:20]2)=[O:23])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:24])[F:25].[OH2:72].[Pd+2:67].[c:34]1([CH3:35])[cH:36][cH:37][cH:38][cH:39][c:40]1[P:41]([c:42]1[cH:43][cH:44][cH:45][cH:46][c:47]1[CH3:48])[c:49]1[cH:50][cH:51][cH:52][cH:53][c:54]1[CH3:55]>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14]([c:15]2[c:16]([OH:22])[cH:17][cH:18][c:19]([CH:26]=[CH:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[cH:20]2)=[O:23])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:24])[F:25]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 962WaterHCID 6228DimethylformamideHCID 7501StyreneHCID 7912DiisopropylamineHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 11190699N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-iodo-benzamide

Product 1

HCID 728218852-Hydroxy-5-phenylethenyl-N-[3,5-bis(trifluoromethyl)phenyl]benzamide

Sources & evidence

ORD record
ord-3391cd2a1b6d4d2197f25e03e4b603b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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