Ethanol → [6-(5-{3-Cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]acetic acid

HRID 93478Notes

Reaction equation

HRID 93478 reaction equation
[CH2:3]([CH3:4])[CH:5]([C:6](=[O:7])[O-:8])[N:9]1[CH2:10][c:11]2[cH:12][cH:13][c:14](-[c:20]3[n:21][o:22][c:23](-[c:25]4[cH:26][c:27]([C:35]#[N:36])[c:28]([O:31][CH:32]([CH3:33])[CH3:34])[cH:29][cH:30]4)[n:24]3)[c:15]([CH3:19])[c:16]2[CH2:17][CH2:18]1.[CH3:37][CH2:38][OH:39].[Na+:2].[OH-:1]>>[CH2:5]([C:6](=[O:7])[OH:8])[N:9]1[CH2:10][c:11]2[cH:12][cH:13][c:14](-[c:20]3[n:21][o:22][c:23](-[c:25]4[cH:26][c:27]([C:35]#[N:36])[c:28]([O:31][CH:32]([CH3:33])[CH3:34])[cH:29][cH:30]4)[n:24]3)[c:15]([CH3:19])[c:16]2[CH2:17][CH2:18]1

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 178454758HCID 178454758, compound

Product 1

HCID 44125169[6-(5-{3-Cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]acetic acid

Sources & evidence

ORD record
ord-54d4de81b89e4a63b6962dc1a9739a6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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