Acetic Acid → HCID 22049779, compound

Reaction equation

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

Participants

Reactant 4

HCID 176Acetic Acid

HCID 8857Ethyl Acetate

HCID 23925Iron

HCID 22049688HCID 22049688, compound

Product 1

HCID 22049779HCID 22049779, compound

Sources & evidence

ORD record: ord-8ee32f1c24aa4aa596eeea86cd1ad672
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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