Potassium Cation → methyl 5-(3H-imidazo[4,5-c]pyridin-3-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxylate

HRID 1223400Notes

Reaction equation

HRID 1223400 reaction equation
[Br:45][CH2:46][c:47]1[c:48]([C:53]([F:54])([F:55])[F:56])[cH:49][cH:50][cH:51][cH:52]1.[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[K+:39].[K+:40].[O-:41][C:42]([O-:43])=[O:44].[OH:1][c:2]1[cH:3][c:4](-[n:5]2[c:6]3[cH:7][cH:8][n:9][cH:10][c:11]3[n:12][cH:13]2)[s:14][c:15]1[C:16]([O:17][CH3:18])=[O:19].[OH:20][c:21]1[c:22]([C:35](=[O:36])[O:37][CH3:38])[s:23][c:24](-[n:26]2[cH:27][n:28][c:29]3[c:30]2[cH:31][n:32][cH:33][cH:34]3)[cH:25]1>>[O:20]([c:21]1[c:22]([C:35](=[O:36])[O:37][CH3:38])[s:23][c:24](-[n:26]2[cH:27][n:28][c:29]3[c:30]2[cH:31][n:32][cH:33][cH:34]3)[cH:25]1)[CH2:46][c:47]1[c:48]([C:53]([F:54])([F:55])[F:56])[cH:49][cH:50][cH:51][cH:52]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 1230571-(Bromomethyl)-2-(trifluoromethyl)benzeneHCID 68765327methyl 3-hydroxy-5-(3H-imidazo[4,5-c]pyridin-3-yl)thiophene-2-carboxylateHCID 68766294methyl 3-hydroxy-5-(1H-imidazo[4,5-c]pyridin-1-yl)thiophene-2-carboxylate

Product 1

HCID 68766098methyl 5-(3H-imidazo[4,5-c]pyridin-3-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxylate

Sources & evidence

ORD record
ord-6d815a0bc54c410cbed95faa92ed012e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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