Acetic Acid → HCID 178443755, compound

HRID 2150075Notes

Reaction equation

HRID 2150075 reaction equation
[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:1][C:2]([CH:3]([CH:4]=[CH:5][CH:6]1[CH2:7][CH2:8][C:9](=[O:20])[CH:10]1[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C:17](=[O:18])[OH:19])[O:21][CH:22]1[CH2:23][CH2:24][CH2:25][CH2:26][O:27]1)([CH2:28][C:29]#[C:30][CH3:31])[CH3:32].[CH3:33][C:34](=[O:35])[OH:36].[OH2:37]>>[CH3:1][C:2]([CH:3]([CH:4]=[CH:5][CH:6]1[CH2:7][CH2:8][C:9](=[O:20])[CH:10]1[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C:17](=[O:18])[OH:19])[OH:21])([CH2:28][C:29]#[C:30][CH3:31])[CH3:32]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 178442773HCID 178442773, compound

Product 1

HCID 178443755HCID 178443755, compound

Sources & evidence

ORD record
ord-263e5772162842fa9df1ae4fbb9d7d05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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