Acetic Acid → HCID 54500580, compound

HRID 697545Notes

Reaction equation

HRID 697545 reaction equation
[CH3:41][C:42](=[O:43])[OH:44].[CH3:4][OH:5].[Na+:2].[OH-:1].[OH2:3].[OH:6][CH:7]([CH2:8][C:9](=[O:10])[O:11][CH2:12][CH3:13])[CH2:14][C:15]([CH:16]=[CH:17][c:18]1[c:19](-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:20]2[n:21]([cH:22][cH:23][c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)[c:30]1[CH:31]([CH3:32])[CH3:33])=[O:40]>>[OH:6][CH:7]([CH2:8][C:9](=[O:10])[OH:11])[CH2:14][C:15]([CH:16]=[CH:17][c:18]1[c:19](-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:20]2[n:21]([cH:22][cH:23][c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)[c:30]1[CH:31]([CH3:32])[CH3:33])=[O:40]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 53844765HCID 53844765, compound

Product 1

HCID 54500580HCID 54500580, compound

Sources & evidence

ORD record
ord-50580c1c171b4b8c85eee39cab7cea8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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