Acetic Acid → HCID 178420949, compound

HRID 115783Notes

Reaction equation

HRID 115783 reaction equation
[CH3:1][O:2][C:3]1=[CH:20][CH2:19][C:18]2=[C:5]([CH2:4]1)[CH2:6][CH2:7][CH:8]1[CH:9]3[CH2:10][CH2:11][C:12]4([C:13]3([CH3:14])[CH2:15][CH2:16][CH:17]12)[O:21][CH2:22][CH:23]([OH:25])[CH2:24]4.[CH3:26][C:27](=[O:28])[OH:29].[OH2:30]>>[O:2]=[C:3]1[CH2:4][C:5]2=[C:18]([CH:17]3[CH:8]([CH2:7][CH2:6]2)[CH:9]2[CH2:10][CH2:11][C:12]4([C:13]2([CH3:14])[CH2:15][CH2:16]3)[O:21][CH2:22][CH:23]([OH:25])[CH2:24]4)[CH2:19][CH2:20]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 178487425HCID 178487425, compound

Product 1

HCID 178420949HCID 178420949, compound

Sources & evidence

ORD record
ord-f31c6e180f974fd99a8e870aa7dfdba3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…