Hydrochloric Acid → 3-{4-[(4-{[(4-Isopropyl-1,3-thiazol-2-yl)(3-methylbutyl)amino]methyl}benzyl)oxy]phenyl}propanoic acid

HRID 124364

Reaction equation

HRID 124364 reaction equation
[CH3:38][OH:39].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([N:9]([CH2:10][CH2:11][CH:12]([CH3:13])[CH3:14])[CH2:15][c:16]2[cH:17][cH:18][c:19]([CH2:20][O:21][c:22]3[cH:23][cH:24][c:25]([CH2:28][CH2:29][C:30](=[O:31])[O:32][CH3:33])[cH:26][cH:27]3)[cH:34][cH:35]2)[s:7][cH:8]1.[ClH:37].[Na+:46].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH-:45].[OH2:36]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([N:9]([CH2:10][CH2:11][CH:12]([CH3:13])[CH3:14])[CH2:15][c:16]2[cH:17][cH:18][c:19]([CH2:20][O:21][c:22]3[cH:23][cH:24][c:25]([CH2:28][CH2:29][C:30](=[O:31])[OH:32])[cH:26][cH:27]3)[cH:34][cH:35]2)[s:7][cH:8]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 57541858Methyl 3-{4-[(4-{[(4-isopropyl-1,3-thiazol-2-yl)(3-methylbutyl)amino]methyl}benzyl)oxy]phenyl}propanoate

Product 1

HCID 575419723-{4-[(4-{[(4-Isopropyl-1,3-thiazol-2-yl)(3-methylbutyl)amino]methyl}benzyl)oxy]phenyl}propanoic acid

Sources & evidence

ORD record
ord-9bf6b6cfe2f54029b2650a9d46cce933
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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