Acetic Acid → HCID 178507344, compound

HRID 2149067Notes

Reaction equation

HRID 2149067 reaction equation
[C:20]([OH:21])(=[O:22])[CH3:23].[C:25]([O:26][CH2:27][CH3:28])(=[O:29])[CH3:30].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:7]([nH:8][c:9](-[c:11]3[c:12]([OH:17])[cH:13][cH:14][cH:15][cH:16]3)[n:10]2)[cH:18][cH:19]1.[OH2:24]>>[NH2:1][c:4]1[cH:5][c:6]2[c:7]([nH:8][c:9](-[c:11]3[c:12]([OH:17])[cH:13][cH:14][cH:15][cH:16]3)[n:10]2)[cH:18][cH:19]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 8857Ethyl AcetateHCID 178526477HCID 178526477, compound

Product 1

HCID 178507344HCID 178507344, compound

Sources & evidence

ORD record
ord-088fddb48fac4ecbaf244ad036648b5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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