Benzoic Acid → Behenyl Benzoate

HRID 679643Notes

Reaction equation

HRID 679643 reaction equation
[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][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[OH:23].[Cl-:46].[Na+:39].[Na+:40].[Na+:45].[O-:41][C:42](=[O:43])[O-:44].[OH2:49].[OH:24][C:25](=[O:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[OH:47][OH:48]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[O:23][C:25](=[O:24])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1

Participants

9

Reactant 8

HCID 243Benzoic AcidHCID 312ChlorideHCID 784Hydrogen PeroxideHCID 923Sodium ion3×HCID 962WaterHCID 12620Behenyl AlcoholHCID 19660Carbonate IonHCID 71081Oxalate

Product 1

HCID 3025489Behenyl Benzoate

Sources & evidence

ORD record
ord-01ac7dbc678e43b699b1ed33f546cbc0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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