Acetate → HCID 21436280, compound

HRID 135381Notes

Reaction equation

HRID 135381 reaction equation
[C:23]([CH3:24])(=[O:25])[O-:26].[CH3:28][C:29]([O:30][C:31](=[O:32])[CH3:33])=[O:34].[CH3:2][O:3][c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:19]1)[C:9]([CH3:17])([CH3:18])[CH:10]1[CH2:11][CH2:12][CH2:13][NH:14][CH:15]1[CH2:16]2.[CH3:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40].[ClH:1].[Na+:27].[OH2:20].[OH2:21].[OH2:22]>>[CH3:2][O:3][c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:19]1)[C:9]([CH3:17])([CH3:18])[CH:10]1[CH2:11][CH2:12][CH2:13][N:14]([C:23]([CH3:24])=[O:25])[CH:15]1[CH2:16]2

Participants

8

Reactant 7

HCID 175AcetateHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962Water3×HCID 7918Acetic AnhydrideHCID 8058HexaneHCID 21436193HCID 21436193, compound

Product 1

HCID 21436280HCID 21436280, compound

Sources & evidence

ORD record
ord-deec6c7f3c654d53b0ce4a9b403ad5f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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