Acetic Acid → HCID 59226506, compound

HRID 1136584Notes

Reaction equation

HRID 1136584 reaction equation
[CH3:1][C:2]1([CH3:28])[CH2:3][C:4]([c:19]2[c:20]([N+:25]([O-:26])=[O:27])[cH:21][n:22][cH:23][cH:24]2)=[CH:5][CH:6]([N:8]2[C:9](=[O:18])[c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[C:16]2=[O:17])[CH2:7]1.[CH3:31][C:32](=[O:33])[OH:34].[H:29][H:30]>>[CH3:1][C:2]1([CH3:28])[CH2:3][C:4]([c:19]2[c:20]([NH2:25])[cH:21][n:22][cH:23][cH:24]2)=[CH:5][CH:6]([N:8]2[C:9](=[O:18])[c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[C:16]2=[O:17])[CH2:7]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 59226459HCID 59226459, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 59226506HCID 59226506, compound

Sources & evidence

ORD record
ord-bb1352b58b6246c8907e4f9e8cedf2ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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