Acetate → 3-(3-Phenyl-6-trifluoromethyl-3H-benzimidazol-4-yl)acrylic acid methyl ester

HRID 1561278Notes

Reaction equation

HRID 1561278 reaction equation
[C:1]([CH:2]=[CH2:3])(=[O:4])[O:5][CH3:6].[C:56]([O-:57])(=[O:58])[CH3:59].[C:61]([O-:62])(=[O:63])[CH3:64].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:65][C:66]#[N:67].[I:7][c:8]1[cH:9][c:10]([C:23]([F:24])([F:25])[F:26])[cH:11][c:12]2[c:13]1[n:14](-[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[cH:15][n:16]2.[Pd+2:60].[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]>>[C:1]([CH:2]=[CH:3][c:8]1[cH:9][c:10]([C:23]([F:24])([F:25])[F:26])[cH:11][c:12]2[c:13]1[n:14](-[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[cH:15][n:16]2)(=[O:4])[O:5][CH3:6]

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6342AcetonitrileHCID 7294Methyl AcrylateHCID 8471TriethylamineHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 194260247-Iodo-1-phenyl-5-(trifluoromethyl)-1H-benzimidazole

Product 1

HCID 674849573-(3-Phenyl-6-trifluoromethyl-3H-benzimidazol-4-yl)acrylic acid methyl ester

Sources & evidence

ORD record
ord-fb6a868334c64d63acd9e7e55cdc9427
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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