Potassium Cation → Methyl 5-(5,6-dimethoxy-3H-imidazo[4,5-b]pyridin-3-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxylate

HRID 1132146Notes

Reaction equation

HRID 1132146 reaction equation
[Br:53][CH2:54][c:55]1[c:56]([C:61]([F:62])([F:63])[F:64])[cH:57][cH:58][cH:59][cH:60]1.[CH3:1][O:2][c:3]1[n:4][c:5]2[n:6][cH:7][n:8](-[c:9]3[s:10][c:11]([C:12]([O:13][CH3:14])=[O:15])[c:16]([OH:17])[cH:18]3)[c:19]2[cH:20][c:21]1[O:22][CH3:23].[CH3:24][O:25][c:26]1[c:27]([O:45][CH3:46])[cH:28][c:29]2[c:30]([n:31]1)[n:32](-[c:35]1[cH:36][c:37]([OH:44])[c:38]([C:40](=[O:41])[O:42][CH3:43])[s:39]1)[cH:33][n:34]2.[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[K+:47].[K+:48].[O-:49][C:50]([O-:51])=[O:52].[OH2:70]>>[CH3:24][O:25][c:26]1[c:27]([O:45][CH3:46])[cH:28][c:29]2[c:30]([n:31]1)[n:32](-[c:35]1[cH:36][c:37]([O:44][CH2:54][c:55]3[c:56]([C:61]([F:62])([F:63])[F:64])[cH:57][cH:58][cH:59][cH:60]3)[c:38]([C:40](=[O:41])[O:42][CH3:43])[s:39]1)[cH:33][n:34]2

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 1230571-(Bromomethyl)-2-(trifluoromethyl)benzeneHCID 68766418methyl 5-(5,6-dimethoxy-1H-imidazo[4,5-b]pyridin-1-yl)-3-hydroxythiophene-2-carboxylateHCID 68767999methyl 5-(5,6-dimethoxy-3H-imidazo[4,5-b]pyridin-3-yl)-3-hydroxythiophene-2-carboxylate

Product 1

HCID 68766918Methyl 5-(5,6-dimethoxy-3H-imidazo[4,5-b]pyridin-3-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxylate

Sources & evidence

ORD record
ord-13ee176d90274efcad9dd94f76942cb3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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