Benzoate → Benzoate

HRID 1127278Notes

Reaction equation

HRID 1127278 reaction equation
[C:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)(=[O:28])[O-:29].[CH2:7]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[O:18][CH2:19][Cl:20].[CH3:1][N:2]([CH3:3])[CH2:4][CH2:5][OH:6].[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].[Na+:30]>>[C:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)(=[O:28])[O-:29].[CH3:1][N+:2]([CH3:3])([CH2:4][CH2:5][OH:6])[CH2:19][O:18][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17]

Participants

7

Reactant 5

HCID 242BenzoateHCID 923Sodium ionHCID 79022-(Dimethylamino)ethanolHCID 8058HexaneHCID 12579126HCID 12579126, compound

Product 2

HCID 242BenzoateHCID 11255333HCID 11255333, compound

Sources & evidence

ORD record
ord-cece2366a7eb438e9aae7addb808cdb9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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