Hydrochloric Acid → 4-Methyl-2-[[4-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]-1,2,5-oxadiazol-3-yl]amino]pentanoic acid

HRID 161516Notes

Reaction equation

HRID 161516 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17](-[c:20]3[c:21]([NH:25][CH:26]([CH2:27][CH:28]([CH3:29])[CH3:30])[C:31](=[O:32])[O:33][CH3:34])[n:22][o:23][n:24]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1.[CH3:38][OH:39].[ClH:37].[Li+:36].[OH-:35]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17](-[c:20]3[c:21]([NH:25][CH:26]([CH2:27][CH:28]([CH3:29])[CH3:30])[C:31](=[O:32])[OH:33])[n:22][o:23][n:24]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 28486Lithium ionHCID 22235792Tert-butyl 4-[4-[4-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-1,2,5-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate

Product 1

HCID 222361654-Methyl-2-[[4-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]-1,2,5-oxadiazol-3-yl]amino]pentanoic acid

Sources & evidence

ORD record
ord-deecdc984beb4675b99d00c36714948d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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