Acetone → Dimethyl 5-bentyloxy-isophthalate

HRID 2323416Notes

Reaction equation

HRID 2323416 reaction equation
[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[Br:23].[CH2:34]1[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1.[CH3:30][C:31](=[O:32])[CH3:33].[K+:24].[K+:25].[O-:26][C:27]([O-:28])=[O:29].[OH:1][c:2]1[cH:3][c:4]([C:12](=[O:13])[O:14][CH3:15])[cH:5][c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1>>[O:1]([c:2]1[cH:3][c:4]([C:12](=[O:13])[O:14][CH3:15])[cH:5][c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1)[CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 813Potassium Cation2×HCID 7498Benzyl BromideHCID 8078CyclohexaneHCID 19660Carbonate IonHCID 830651,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester

Product 1

HCID 7643390Dimethyl 5-bentyloxy-isophthalate

Sources & evidence

ORD record
ord-b4d0e97763fb41e3af0bf3eaaae72329
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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