Bromide ion → Benzoic acid, 4-hexyl-, methyl ester

HRID 144193

Reaction equation

HRID 144193 reaction equation
[Br-:17].[CH2:12]1[O:13][CH2:14][CH2:15][CH2:16]1.[CH2:18]([CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[Mg+:24].[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([Cl:10])[cH:8][cH:9]1)=[O:11].[CH3:25][N:26]1[CH2:27][CH2:28][CH2:29][C:30]1=[O:31]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[cH:8][cH:9]1)=[O:11]

Participants

6

Reactant 5

HCID 259Bromide ionHCID 8028TetrahydrofuranHCID 13387N-methyl-2-pyrrolidoneHCID 14307Methyl 4-chlorobenzoateHCID 178444604HCID 178444604, compound

Product 1

HCID 591633Benzoic acid, 4-hexyl-, methyl ester

Sources & evidence

ORD record
ord-a424563409df48568cdabf721a56407c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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