Acetic Acid → HCID 22559539, compound

HRID 683865Notes

Reaction equation

HRID 683865 reaction equation
[CH3:22][C:23](=[O:24])[OH:25].[CH3:27][CH2:28][OH:29].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][n:6][c:7]([NH:9][C:10](=[O:11])[NH:12][c:13]2[cH:14][c:15]([N+:19]([O-:20])=[O:21])[cH:16][cH:17][cH:18]2)[s:8]1.[Fe:30].[OH2:26]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][n:6][c:7]([NH:9][C:10](=[O:11])[NH:12][c:13]2[cH:14][c:15]([NH2:19])[cH:16][cH:17][cH:18]2)[s:8]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 962WaterHCID 23925IronHCID 22559602HCID 22559602, compound

Product 1

HCID 22559539HCID 22559539, compound

Sources & evidence

ORD record
ord-b76518e91024459aa11cf3224cd5713f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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