Benzoic Acid → Icosan-9-yl benzoate

HRID 1114775Notes

Reaction equation

HRID 1114775 reaction equation
[BH4-:22].[C:33]([O-:34])(=[O:35])[C:36]([O-:37])=[O:38].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[CH:9]([CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[OH:21].[Na+:23].[OH:24][C:25](=[O:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[CH:9]([CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[O:21][C:25](=[O:24])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1

Participants

6

Reactant 5

HCID 243Benzoic AcidHCID 923Sodium ionHCID 28123BorohydrideHCID 71081OxalateHCID 119833771-Dodecanol, octyl-

Product 1

HCID 53719708Icosan-9-yl benzoate

Sources & evidence

ORD record
ord-00931a1c65c84a15ba6b7f9ec34e2e99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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