Acetic Acid → HCID 68958951, compound

HRID 1121856Notes

Reaction equation

HRID 1121856 reaction equation
[CH3:36][C:37](=[O:38])[OH:39].[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][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH3:35])[cH:20][cH:21][cH:22]2)[cH:15][cH:16]1.[Na+:2].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]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][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH3:35])[cH:20][cH:21][cH:22]2)[cH:15][cH:16]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 91311015HCID 91311015, compound

Product 1

HCID 68958951HCID 68958951, compound

Sources & evidence

ORD record
ord-b5470f0495ef4b5d9ee7c49e89cb8394
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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