Acetate → Agomelatine

HRID 2344047Notes

Reaction equation

HRID 2344047 reaction equation
[CH3:17][C:18]([O-:19])=[O:20].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][c:10]([CH2:13][CH2:14][NH2:15])[c:11]2[cH:12]1.[CH3:21][CH2:22][OH:23].[CH3:24][C:25]([O:26][C:27](=[O:28])[CH3:29])=[O:30].[Na+:16].[OH2:31]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][c:10]([CH2:13][CH2:14][NH:15][C:18]([CH3:17])=[O:19])[c:11]2[cH:12]1

Participants

7

Reactant 6

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

Product 1

HCID 82148Agomelatine

Sources & evidence

ORD record
ord-129362bc049f47b5aedc7a196f302af4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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