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

HRID 1234470Notes

Reaction equation

HRID 1234470 reaction equation
[CH2:1]([CH3:2])[CH:3]([C:4](=[O:5])[O-:6])[N:7]1[CH2:8][c:9]2[cH:10][cH:11][c:12](-[c:18]3[n:19][o:20][c:21](-[c:23]4[cH:24][c:25]([Cl:33])[c:26]([O:29][CH:30]([CH3:31])[CH3:32])[cH:27][cH:28]4)[n:22]3)[c:13]([CH3:17])[c:14]2[CH2:15][CH2:16]1.[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:36][CH2:37][O:38][CH2:39][CH3:40].[CH3:41][CH2:42][OH:43].[Na+:35].[OH-:34]>>[CH2:3]([C:4](=[O:5])[OH:6])[N:7]1[CH2:8][c:9]2[cH:10][cH:11][c:12](-[c:18]3[n:19][o:20][c:21](-[c:23]4[cH:24][c:25]([Cl:33])[c:26]([O:29][CH:30]([CH3:31])[CH3:32])[cH:27][cH:28]4)[n:22]3)[c:13]([CH3:17])[c:14]2[CH2:15][CH2:16]1

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 178454757HCID 178454757, compound

Product 1

HCID 57505835[6-(5-{3-Chloro-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-05c0c4e2d9c7484cadff2b5b3ab24bab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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