Decanoic Acid → Sumatriptan

HRID 2349442

Reaction equation

HRID 2349442 reaction equation
[CH3:13][NH:14][S:15](=[O:16])(=[O:17])[CH2:18][c:19]1[cH:20][cH:21][c:22]2[nH:23][cH:24][c:25]([CH2:26][CH2:27][N:28]([CH3:29])[CH3:30])[c:31]2[cH:32]1.[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:10]([OH:11])=[O:12].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38]>>[CH3:13][NH:14][S:15](=[O:16])(=[O:17])[CH2:18][c:19]1[cH:20][cH:21][c:22]2[nH:23][cH:24][c:25]([CH2:26][CH2:27][N:28]([CH3:29])[CH3:30])[c:31]2[cH:32]1.[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:10](=[O:11])[O-:12]

Participants

5

Reactant 3

HCID 2969Decanoic AcidHCID 5358SumatriptanHCID 8857Ethyl Acetate

Product 2

HCID 5358SumatriptanHCID 4678093Decanoic acid, ion(1-)

Sources & evidence

ORD record
ord-7ca86c277c354de09ad8dd4589878edd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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