Acetic Acid → HCID 66643684, compound

HRID 295729Notes

Reaction equation

HRID 295729 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8][c:9]([CH3:11])[s:10]1.[CH3:12][C:13]([O:14][C:15](=[O:16])[CH3:17])=[O:18].[CH3:19][C:20](=[O:21])[OH:22].[CH3:23][c:24]1[c:25]([CH:35]=[O:36])[c:26](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[n:27][o:28]1.[OH2:37]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8][c:9]([CH:11]=[CH:35][c:25]2[c:24]([CH3:23])[o:28][n:27][c:26]2-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[s:10]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 7918Acetic AnhydrideHCID 27761445-Methyl-3-phenylisoxazole-4-carboxaldehydeHCID 12808791Ethyl 2-methyl-1,3-thiazole-5-carboxylate

Product 1

HCID 66643684HCID 66643684, compound

Sources & evidence

ORD record
ord-6a9e5ceaad0344e5a7569249edd2d398
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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