DL-Carnitine → Chloride

Reaction equation

[C:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH:20]=[CH:21][CH2:22][CH:23]=[CH:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])(=[O:30])[Cl:31].[OH:1][CH:2]([CH2:3][N+:4]([CH3:5])([CH3:6])[CH3:7])[CH2:8][C:9]([O-:10])=[O:11]>>[Cl-:31].[O:1]([CH:2]([CH2:3][N+:4]([CH3:5])([CH3:6])[CH3:7])[CH2:8][C:9]([OH:10])=[O:11])[C:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH:20]=[CH:21][CH2:22][CH:23]=[CH:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])=[O:30]

Participants

Reactant 2

HCID 288DL-Carnitine

HCID 98987Octadeca-9,12-dienoyl chloride

Product 2

HCID 312Chloride

HCID 54075642(3-Carboxy-2-octadeca-9,12-dienoyloxypropyl)-trimethylazanium

Sources & evidence

ORD record: ord-033c19fab80744379896d4f05bb3307f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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