Acetic Acid → HCID 68957363, compound

HRID 1136996Notes

Reaction equation

HRID 1136996 reaction equation
[CH3:34][C:35](=[O:36])[OH:37].[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][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH3:33])[cH:20][cH:21][cH:22]2)[cH:15][cH:16]1.[Na+:2].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]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][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH3:33])[cH:20][cH:21][cH:22]2)[cH:15][cH:16]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 90776064HCID 90776064, compound

Product 1

HCID 68957363HCID 68957363, compound

Sources & evidence

ORD record
ord-995456da8b75411c8726baad26665c5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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