Acetic Acid → HCID 68959383, compound

HRID 1122942Notes

Reaction equation

HRID 1122942 reaction equation
[CH3:33][C:34](=[O:35])[OH:36].[CH3:3][O:4][C:5]([C:6](=[O:7])[O:8][CH3:9])=[CH:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([N:23]([C:24](=[O:25])[NH:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[CH3:32])[cH:20][cH:21][cH:22]2)[cH:15][cH:16]1.[Na+:2].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH-:1]>>[CH3:3][O:4][C:5]([C:6](=[O:7])[OH:8])=[CH:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([N:23]([C:24](=[O:25])[NH:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[CH3:32])[cH:20][cH:21][cH:22]2)[cH:15][cH:16]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 76560442HCID 76560442, compound

Product 1

HCID 68959383HCID 68959383, compound

Sources & evidence

ORD record
ord-f7593851618b4e36bb07e5f3a38e3db8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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