Acetic Acid → HCID 54455049, compound

HRID 2331564Notes

Reaction equation

HRID 2331564 reaction equation
[CH3:13][n:14]1[c:15]([CH:22]=[O:23])[n:16][cH:17][c:18]1[N+:19](=[O:20])[O-:21].[CH3:1][c:2]1[s:3][c:4](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[n:5][n:6]1.[CH3:24][C:25]([O:26][C:27](=[O:28])[CH3:29])=[O:30].[CH3:32][C:33](=[O:34])[OH:35].[OH2:31]>>[CH:1]([c:2]1[s:3][c:4](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[n:5][n:6]1)=[CH:22][c:15]1[n:14]([CH3:13])[c:18]([N+:19](=[O:20])[O-:21])[cH:17][n:16]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 7918Acetic AnhydrideHCID 784871-Methyl-5-nitro-1H-imidazole-2-carbaldehydeHCID 974251,3,4-Thiadiazole, 2-methyl-5-phenyl-

Product 1

HCID 54455049HCID 54455049, compound

Sources & evidence

ORD record
ord-39879bc7204547ed81bfdb704b6882ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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