Acetic Acid → HCID 15595972, compound

HRID 115659Notes

Reaction equation

HRID 115659 reaction equation
[CH3:26][C:27](=[O:28])[OH:29].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[F:1][c:2]1[c:3]([N:15]2[C:16](=[O:25])[C:17]3=[C:22]([CH2:21][CH2:20][CH2:19][CH2:18]3)[C:23]2=[O:24])[cH:4][c:5]([NH:11][CH2:12][C:13]#[CH:14])[c:6]([N+:8]([O-:9])=[O:10])[cH:7]1.[Fe:36]>>[F:1][c:2]1[c:3]([N:15]2[C:16](=[O:25])[C:17]3=[C:22]([CH2:21][CH2:20][CH2:19][CH2:18]3)[C:23]2=[O:24])[cH:4][c:5]([NH:11][CH2:12][C:13]#[CH:14])[c:6]([NH2:8])[cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 8857Ethyl AcetateHCID 23925IronHCID 13784512HCID 13784512, compound

Product 1

HCID 15595972HCID 15595972, compound

Sources & evidence

ORD record
ord-1caffcd3468d450d9a40b13df38fb4cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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