Ethanol → 2-butyl-1-[[2'-carboxy-(1,1'-biphenyl)-4-yl]-methyl]-4-(2-fluoroethylthio)-1H-imidazole-5-carboxylic acid

HRID 190949Notes

Reaction equation

HRID 190949 reaction equation
[CH2:3]([CH2:4][CH2:5][CH3:6])[c:7]1[n:8]([CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]3[c:29]([C:34](=[O:35])[OH:36])[cH:30][cH:31][cH:32][cH:33]3)[cH:26][cH:27]2)[c:9]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[c:10]([S:12][CH2:13][CH2:14][F:15])[n:11]1.[CH3:37][CH2:38][OH:39].[Na+:2].[OH-:1]>>[CH2:3]([CH2:4][CH2:5][CH3:6])[c:7]1[n:8]([CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]3[c:29]([C:34](=[O:35])[OH:36])[cH:30][cH:31][cH:32][cH:33]3)[cH:26][cH:27]2)[c:9]([C:16](=[O:17])[OH:18])[c:10]([S:12][CH2:13][CH2:14][F:15])[n:11]1

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 21479014HCID 21479014, compound

Product 1

HCID 214790602-butyl-1-[[2'-carboxy-(1,1'-biphenyl)-4-yl]-methyl]-4-(2-fluoroethylthio)-1H-imidazole-5-carboxylic acid

Sources & evidence

ORD record
ord-84b8a62219c94f229bb6ae56d7d6764e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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