Benzoic Acid → Icosan-9-yl benzoate

HRID 2126209Notes

Reaction equation

HRID 2126209 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].[Cl-:47].[Na+:23].[Na+:40].[Na+:41].[Na+:46].[O-:42][C:43](=[O:44])[O-:45].[OH2:50].[OH:24][C:25](=[O:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[OH:39].[OH:48][OH:49]>>[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

11

Reactant 10

HCID 243Benzoic AcidHCID 312ChlorideHCID 784Hydrogen PeroxideHCID 923Sodium ion4×HCID 962WaterHCID 19660Carbonate IonHCID 28123BorohydrideHCID 71081OxalateHCID 157350HydroxylHCID 119833771-Dodecanol, octyl-

Product 1

HCID 53719708Icosan-9-yl benzoate

Sources & evidence

ORD record
ord-f5d616af8b6e49bf91e001e5fdaef0fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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