Acetic Acid → HCID 19380431, compound

HRID 682510Notes

Reaction equation

HRID 682510 reaction equation
[CH3:22][C:23](=[O:24])[OH:25].[O:1]1[CH:2]([CH2:6][CH2:7][CH:8]2[CH2:9][CH2:10][CH:11]([CH:14]3[CH2:15][CH2:16][CH:17]([C:20]#[N:21])[CH2:18][CH2:19]3)[CH2:12][CH2:13]2)[O:5][CH2:4][CH2:3]1.[O:26]1[CH2:27][CH2:28][O:29][CH2:30][CH2:31]1.[OH2:32]>>[O:1]=[CH:2][CH2:6][CH2:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH:14]2[CH2:15][CH2:16][CH:17]([C:20]#[N:21])[CH2:18][CH2:19]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 312751,4-DioxaneHCID 19380518HCID 19380518, compound

Product 1

HCID 19380431HCID 19380431, compound

Sources & evidence

ORD record
ord-e0c440adc391460289fb031139297992
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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