Acetate → HCID 54159976, compound

Reaction equation

[CH3:1][n:2]1[n:3][c:4](-[c:9]2[o:10][c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]2)[c:5]([CH:7]=[O:8])[cH:6]1.[CH3:32][C:33](=[O:34])[O-:35].[CH3:36][CH2:37][OH:38].[ClH:17].[ClH:18].[NH:19]([NH2:20])[c:21]1[cH:22][n:23][c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[cH:30]1.[Na+:31]>>[CH3:1][n:2]1[n:3][c:4](-[c:9]2[o:10][c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]2)[c:5]([CH:7]=[N:20][NH:19][c:21]2[cH:22][n:23][c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]3[cH:30]2)[cH:6]1

Participants

Reactant 6

HCID 175Acetate

HCID 313Hydrochloric Acid2×

HCID 702Ethanol

HCID 923Sodium Ion

HCID 1091063-Hydrazinylquinoline

HCID 203259351-Methyl-3-(5-nitrofuran-2-yl)-1H-pyrazole-4-carbaldehyde

Product 1

HCID 54159976HCID 54159976, compound

Sources & evidence

ORD record: ord-aef93ed0146441bfbc83395de7c5a18a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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