Ethanol → 6-(Trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1,3-dihydro-2H-benzimidazol-2-one

HRID 1202216Notes

Reaction equation

HRID 1202216 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:12]([F:13])([F:14])[F:15])[cH:5][c:6]2[nH:7][c:8](=[O:11])[nH:9][c:10]12.[C:28](=[O:29])([O-:30])[O-:31].[CH2:35]([CH2:36][O:37][CH3:38])[O:39][CH3:40].[CH3:82][CH2:83][OH:84].[F:16][c:17]1[cH:18][c:19]([B:25]([OH:26])[OH:27])[cH:20][c:21]([F:24])[c:22]1[F:23].[Na+:32].[Na+:33].[OH2:34].[OH2:85].[Pd:41]([Cl:42])[Cl:43].[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1.[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1>>[c:2]1(-[c:19]2[cH:18][c:17]([F:16])[c:22]([F:23])[c:21]([F:24])[cH:20]2)[cH:3][c:4]([C:12]([F:13])([F:14])[F:15])[cH:5][c:6]2[nH:7][c:8](=[O:11])[nH:9][c:10]12

Participants

10

Reactant 9

HCID 702EthanolHCID 923Sodium ion2×HCID 962Water2×HCID 80711,2-DimethoxyethaneHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 2734671(3,4,5-Trifluorophenyl)boronic Acid (contains varying amounts of Anhydride)HCID 115800214-Bromo-6-trifluoromethyl-1,3-dihydrobenzoimidazol-2-one

Product 1

HCID 116313296-(Trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1,3-dihydro-2H-benzimidazol-2-one

Sources & evidence

ORD record
ord-112b51eef5e149b48db05adfd13ba781
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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