Benzene → Octyl p-bromomethylbenzoate

HRID 113912Notes

Reaction equation

HRID 113912 reaction equation
[Br:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12]1.[CH2:13]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[OH:21].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[Cl-:1].[ClH:29].[cH:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[Br:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[cH:11][cH:12]1

Participants

8

Reactant 7

HCID 241BenzeneHCID 312ChlorideHCID 313Hydrochloric AcidHCID 9571-OctanolHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 225994-(Bromomethyl)benzoic acid

Product 1

HCID 19891718Octyl p-bromomethylbenzoate

Sources & evidence

ORD record
ord-dec01faa56ea497896ad5d5e74414514
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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