Sodium ion → 4-(3-furanyl)-2-methyl-1-{[2-methyl-3-(trifluoromethyl)phenyl]methyl}-6-(4-morpholinyl)-1H-benzimidazole

HRID 90870Notes

Reaction equation

HRID 90870 reaction equation
[Br:1][c:2]1[cH:3][c:4]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[cH:5][c:6]2[n:7]([CH2:12][c:13]3[c:14]([CH3:23])[c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]3)[c:8]([CH3:11])[n:9][c:10]12.[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[CH3:58][C:59]#[N:60].[F:44][C:45]([F:46])([F:47])[C:48]([OH:49])=[O:50].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[OH2:57].[o:30]1[cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1>>[c:2]1(-[c:32]2[cH:31][o:30][cH:34][cH:33]2)[cH:3][c:4]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[cH:5][c:6]2[n:7]([CH2:12][c:13]3[c:14]([CH3:23])[c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]3)[c:8]([CH3:11])[n:9][c:10]12

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 2734358Furan-3-boronic acidHCID 569605424-(7-bromo-2-methyl-3-(2-methyl-3-(trifluoromethyl)benzyl)-3H-benzo[d]imidazol-5-yl)morpholine

Product 1

HCID 669768194-(3-furanyl)-2-methyl-1-{[2-methyl-3-(trifluoromethyl)phenyl]methyl}-6-(4-morpholinyl)-1H-benzimidazole

Sources & evidence

ORD record
ord-eadf9cb83893454c94b680fe6993cc02
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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