Acetic Acid → HCID 178444996, compound

HRID 1224525Notes

Reaction equation

HRID 1224525 reaction equation
[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:31][C:32](=[O:33])[OH:34].[O:1]=[C:2]1[CH:3]([CH2:4][CH:5]=[CH:6][CH2:7][CH2:8][CH2:9][C:10](=[O:11])[OH:12])[CH:13]([CH:16]=[CH:17][CH:18]([CH2:19][CH2:20][C:21]#[C:22][CH3:23])[O:24][CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29][O:30]2)[CH2:14][CH2:15]1.[OH2:35]>>[O:1]=[C:2]1[CH:3]([CH2:4][CH:5]=[CH:6][CH2:7][CH2:8][CH2:9][C:10](=[O:11])[OH:12])[CH:13]([CH:16]=[CH:17][CH:18]([CH2:19][CH2:20][C:21]#[C:22][CH3:23])[OH:24])[CH2:14][CH2:15]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 178442656HCID 178442656, compound

Product 1

HCID 178444996HCID 178444996, compound

Sources & evidence

ORD record
ord-f1a3d7e2631a4de298477be57bfefe06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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