Acetic Acid → HCID 22638762, compound

HRID 182009Notes

Reaction equation

HRID 182009 reaction equation
[CH3:1][N:2]([CH3:3])[CH2:4][CH:5]1[CH:6]([c:8]2[cH:9][cH:10][c:11]3[c:12]([CH:17]=[O:18])[cH:13][nH:14][c:15]3[cH:16]2)[CH2:7]1.[CH3:34][C:35](=[O:36])[OH:37].[N+:26]([CH2:27][CH2:28][CH3:29])([O-:30])=[O:31].[NH4+:24].[NH4+:25].[Na+:33].[OH-:32].[OH2:38].[P:19]([O-:20])([O-:21])([OH:22])=[O:23]>>[CH3:1][N:2]([CH3:3])[CH2:4][CH:5]1[CH:6]([c:8]2[cH:9][cH:10][c:11]3[c:12]([C:17]#[N:26])[cH:13][nH:14][c:15]3[cH:16]2)[CH2:7]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 223Ammonium2×HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 79031-NitropropaneHCID 3681305Hydrogen phosphateHCID 22638733HCID 22638733, compound

Product 1

HCID 22638762HCID 22638762, compound

Sources & evidence

ORD record
ord-3031aa4b2a4249ad9ae805b7d57456e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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