Acetic Acid → HCID 178443753, compound

HRID 1120406Notes

Reaction equation

HRID 1120406 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:34][C:35](=[O:36])[OH:37].[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:17]=[CH:18][CH:19]([C:20]([CH2:21][C:22]#[C:23][CH3:24])([CH3:25])[CH3:26])[O:27][CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][O:33]2)[CH:14]([CH3:16])[CH2:15]1.[OH2:38]>>[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:17]=[CH:18][CH:19]([C:20]([CH2:21][C:22]#[C:23][CH3:24])([CH3:25])[CH3:26])[OH:27])[CH:14]([CH3:16])[CH2:15]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 178442771HCID 178442771, compound

Product 1

HCID 178443753HCID 178443753, compound

Sources & evidence

ORD record
ord-f3320e4c738c44a5a42e0496650f9bff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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