Acetic Acid → HCID 178470223, compound

HRID 694078Notes

Reaction equation

HRID 694078 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH:7]2[CH2:8][CH:9]3[C:10]([CH3:35])([CH2:11][CH:12]([OH:27])[C:13]4([F:26])[C:14]5([CH3:25])[CH:15]=[CH:16][C:17](=[O:24])[CH:18]=[C:19]5[CH:20]([F:23])[CH2:21][CH:22]34)[C:28]2([C:31]([CH2:32][OH:33])=[O:34])[CH:29]=[N:30]1.[CH3:36][C:37](=[O:38])[OH:39].[CH3:45][OH:46].[Na+:44].[O-:40][C:41]([OH:42])=[O:43]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH:7]2[CH2:8][CH:9]3[C:10]([CH3:35])([CH2:11][CH:12]([OH:27])[C:13]4([F:26])[C:14]5([CH3:25])[CH:15]=[CH:16][C:17](=[O:24])[CH:18]=[C:19]5[CH:20]([F:23])[CH2:21][CH:22]34)[C:28]2([C:31]([CH2:32][OH:33])=[O:34])[CH2:29][NH:30]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 178470222HCID 178470222, compound

Product 1

HCID 178470223HCID 178470223, compound

Sources & evidence

ORD record
ord-273a604b78fc49b0b98f9456b46361c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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