Acetic Acid → HCID 178443765, compound

HRID 2321650Notes

Reaction equation

HRID 2321650 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:1][C:2]([CH:3]([CH:4]=[CH:5][CH:6]1[CH:7]([OH:21])[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:22][CH:23]1[CH2:24][CH2:25][CH2:26][CH2:27][O:28]1)([CH2:29][C:30]#[C:31][CH3:32])[CH3:33].[CH3:34][C:35](=[O:36])[OH:37].[OH2:38]>>[CH3:1][C:2]([CH:3]([CH:4]=[CH:5][CH:6]1[CH:7]([OH:21])[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:22])([CH2:29][C:30]#[C:31][CH3:32])[CH3:33]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 178442791HCID 178442791, compound

Product 1

HCID 178443765HCID 178443765, compound

Sources & evidence

ORD record
ord-b52554401fcd4e18840d458ec9cc9880
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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