Acetic Acid → HCID 22345641, compound

HRID 2157649Notes

Reaction equation

HRID 2157649 reaction equation
[CH3:1][c:2]1[c:3](-[c:12]2[c:13]([CH3:21])[cH:14][cH:15][c:16]([N+:18]([O-:19])=[O:20])[cH:17]2)[cH:4][cH:5][c:6]([C:8]([CH2:9][CH3:10])=[O:11])[cH:7]1.[CH3:23][CH2:24][OH:25].[CH3:27][C:28](=[O:29])[OH:30].[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[Fe:37].[NH3:22].[OH2:26]>>[CH3:1][c:2]1[c:3](-[c:12]2[c:13]([CH3:21])[cH:14][cH:15][c:16]([NH2:18])[cH:17]2)[cH:4][cH:5][c:6]([C:8]([CH2:9][CH3:10])=[O:11])[cH:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 222AmmoniaHCID 702EthanolHCID 962WaterHCID 8857Ethyl AcetateHCID 23925IronHCID 223456091-(2,2′-Dimethyl-5′-nitro[1,1′-biphenyl]-4-yl)-1-propanone

Product 1

HCID 22345641HCID 22345641, compound

Sources & evidence

ORD record
ord-277a66d776744c6e8b812e86020896f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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