Acetic Acid → HCID 22181263, compound

HRID 677580Notes

Reaction equation

HRID 677580 reaction equation
[CH3:27][CH2:28][O:29][C:30]([CH3:31])=[O:32].[CH3:33][C:34](=[O:35])[OH:36].[CH:1]1([CH2:4][n:5]2[c:6]([CH2:17][c:18]3[cH:19][cH:20][c:21]([O:24][CH2:25][CH3:26])[cH:22][cH:23]3)[n:7][c:8]3[c:9]2[n:10][cH:11][c:12]([N+:14]([O-:15])=[O:16])[cH:13]3)[CH2:2][CH2:3]1>>[CH:1]1([CH2:4][n:5]2[c:6]([CH2:17][c:18]3[cH:19][cH:20][c:21]([O:24][CH2:25][CH3:26])[cH:22][cH:23]3)[n:7][c:8]3[c:9]2[n:10][cH:11][c:12]([NH2:14])[cH:13]3)[CH2:2][CH2:3]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 8857Ethyl AcetateHCID 22181416HCID 22181416, compound

Product 1

HCID 22181263HCID 22181263, compound

Sources & evidence

ORD record
ord-4c162e014ba547e3a2538f5af6845654
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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