Acetic Acid → HCID 70378373, compound

HRID 1142397Notes

Reaction equation

HRID 1142397 reaction equation
[CH3:33][C:34](=[O:35])[OH:36].[CH3:37][CH2:38][OH:39].[N+:3]([c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:12][CH:13]2[CH:14]([CH:19]([c:20]3[cH:21][cH:22][c:23]([Cl:26])[cH:24][cH:25]3)[CH2:27][N+:28](=[O:29])[O-:30])[CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:10][cH:11]1)([O-:31])=[O:32].[Na+:2].[OH-:1]>>[OH:12][CH:13]1[CH:14]([CH:19]([c:20]2[cH:21][cH:22][c:23]([Cl:26])[cH:24][cH:25]2)[CH2:27][N+:28](=[O:29])[O-:30])[CH2:15][CH2:16][CH2:17][CH2:18]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 178524295HCID 178524295, compound

Product 1

HCID 70378373HCID 70378373, compound

Sources & evidence

ORD record
ord-f3b15d4b5a004dd88a68bde83060e77c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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