Ethanol → 3-({5-[5-(4-Isobutyl-phenyl)-[1,2,4]oxadiazol-3-yl]-pyrazin-2-ylmethyl}-amino)-cis-cyclobutanecarboxylic acid

HRID 2128647Notes

Reaction equation

HRID 2128647 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][CH:8]([NH:10][CH2:11][c:12]2[n:13][cH:14][c:15](-[c:18]3[n:19][o:20][c:21](-[c:23]4[cH:24][cH:25][c:26]([CH2:29][CH:30]([CH3:31])[CH3:32])[cH:27][cH:28]4)[n:22]3)[n:16][cH:17]2)[CH2:9]1.[CH3:35][CH2:36][OH:37].[Na+:34].[OH-:33]>>[O:3]=[C:4]([OH:5])[CH:6]1[CH2:7][CH:8]([NH:10][CH2:11][c:12]2[n:13][cH:14][c:15](-[c:18]3[n:19][o:20][c:21](-[c:23]4[cH:24][cH:25][c:26]([CH2:29][CH:30]([CH3:31])[CH3:32])[cH:27][cH:28]4)[n:22]3)[n:16][cH:17]2)[CH2:9]1

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 59204268HCID 59204268, compound

Product 1

HCID 177573723-({5-[5-(4-Isobutyl-phenyl)-[1,2,4]oxadiazol-3-yl]-pyrazin-2-ylmethyl}-amino)-cis-cyclobutanecarboxylic acid

Sources & evidence

ORD record
ord-13426ba5b15e468d8725c1e689d19a4d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…