Acetic Acid → 3-[5-(2-Amino-4-pyridyl)-2-ethyl-1,3-thiazol-4-YL]benzoic acid

HRID 1211176Notes

Reaction equation

HRID 1211176 reaction equation
[CH3:30][C:31](=[O:32])[OH:33].[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:15]3[cH:16][c:17]([C:21]#[N:22])[cH:18][cH:19][cH:20]3)[n:10][c:11]([CH2:13][CH3:14])[s:12]2)[cH:7]1.[Na+:29].[OH-:28].[S:23]([OH:24])(=[O:25])(=[O:26])[OH:27]>>[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:15]3[cH:16][c:17]([C:21]([OH:24])=[O:28])[cH:18][cH:19][cH:20]3)[n:10][c:11]([CH2:13][CH3:14])[s:12]2)[cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 1118Sulfuric AcidHCID 229327263-[5-(2-Aminopyridin-4-yl)-2-ethyl-1,3-thiazol-4-yl]benzonitrile

Product 1

HCID 534254603-[5-(2-Amino-4-pyridyl)-2-ethyl-1,3-thiazol-4-YL]benzoic acid

Sources & evidence

ORD record
ord-336815959f7543e6967e88229cf86764
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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