Sodium ion → 5-(6-Methoxy-1H-imidazo[4,5-c]pyridin-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxylic acid

HRID 148970Notes

Reaction equation

HRID 148970 reaction equation
[CH2:74]([O:75][CH2:76][CH3:77])[CH3:78].[CH3:1][O:2][c:3]1[n:4][cH:5][c:6]2[n:7](-[c:8]3[s:9][c:10]([C:11]([O:12][CH3:13])=[O:14])[c:15]([O:16][CH2:17][c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]4[C:24]([F:25])([F:26])[F:27])[cH:28]3)[cH:29][n:30][c:31]2[cH:32]1.[CH3:33][O:34][c:35]1[cH:36][c:37]2[c:38]([cH:39][n:40]1)[n:41][cH:42][n:43]2-[c:44]1[cH:45][c:46]([O:53][CH2:54][c:55]2[c:56]([C:61]([F:62])([F:63])[F:64])[cH:57][cH:58][cH:59][cH:60]2)[c:47]([C:49](=[O:50])[O:51][CH3:52])[s:48]1.[Li+:66].[Na+:68].[O:69]1[CH2:70][CH2:71][CH2:72][CH2:73]1.[OH-:65].[OH-:67]>>[CH3:33][O:34][c:35]1[cH:36][c:37]2[c:38]([cH:39][n:40]1)[n:41][cH:42][n:43]2-[c:44]1[cH:45][c:46]([O:53][CH2:54][c:55]2[c:56]([C:61]([F:62])([F:63])[F:64])[cH:57][cH:58][cH:59][cH:60]2)[c:47]([C:49](=[O:50])[OH:51])[s:48]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 961Hydroxide2×HCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 68766502methyl 5-(6-methoxy-1H-imidazo[4,5-c]pyridin-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxylateHCID 68768085methyl 5-(6-methoxy-3H-imidazo[4,5-c]pyridin-3-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxylate

Product 1

HCID 251532845-(6-Methoxy-1H-imidazo[4,5-c]pyridin-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxylic acid

Sources & evidence

ORD record
ord-fa4adefecc5941fab3547095161b4cff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…