Acetic Acid → HCID 178465707, compound

HRID 298636Notes

Reaction equation

HRID 298636 reaction equation
[C:49].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[P:8](=[O:9])([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[NH:17][CH:18]([CH3:19])[C:20](=[O:21])[N:22]1[CH:23]([C:24](=[O:25])[N:26]2[CH:27]([C:28](=[O:29])[OH:30])[CH2:31][CH2:32][CH2:33]2)[CH2:34][CH2:35][CH2:36]1.[CH2:41]([OH:42])[CH3:43].[CH3:45][C:46](=[O:47])[OH:48].[H:37][H:38].[NH3:40].[OH2:39].[OH2:44].[Pd:50]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[P+:8]([O-:9])=[N:17][CH:18]([CH3:19])[C:20](=[O:21])[N:22]1[CH:23]([C:24](=[O:25])[N:26]2[CH:27]([C:28](=[O:29])[OH:30])[CH2:31][CH2:32][CH2:33]2)[CH2:34][CH2:35][CH2:36]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 222AmmoniaHCID 297MethaneHCID 702EthanolHCID 962Water2×HCID 23938PalladiumHCID 13503348HCID 13503348, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 178465707HCID 178465707, compound

Sources & evidence

ORD record
ord-2b99ac2a02854aa3ab469e415a2fd305
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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