Acetate → Agomelatine

HRID 2323873Notes

Reaction equation

HRID 2323873 reaction equation
[CH3:18][C:19]([O-:20])=[O:21].[CH3:22][C:23]([O:24][C:25](=[O:26])[CH3:27])=[O:28].[CH3:2][O:3][c:4]1[cH:5][cH:6][c:7]2[cH:8][cH:9][cH:10][c:11]([CH2:14][CH2:15][NH2:16])[c:12]2[cH:13]1.[CH3:30][CH2:31][OH:32].[ClH:1].[Na+:17].[OH2:29]>>[CH3:2][O:3][c:4]1[cH:5][cH:6][c:7]2[cH:8][cH:9][cH:10][c:11]([CH2:14][CH2:15][NH:16][C:19]([CH3:18])=[O:20])[c:12]2[cH:13]1

Participants

8

Reactant 7

HCID 175AcetateHCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 7918Acetic AnhydrideHCID 110526677-Methoxy-1-naphthaleneethanamine

Product 1

HCID 82148Agomelatine

Sources & evidence

ORD record
ord-966d63a8addf42b9af99685274fc6bf1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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