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Bromide ion → Methyl 2-(3-hydroxycyclohexyloxymethyl)-6-methylbenzoate

HRID 163973
Notes
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Reaction equation

HRID 163973 reaction equation
[Br-:28].[Br:15][CH2:16][c:17]1[c:18]([C:19](=[O:20])[O:21][CH3:22])[c:23]([CH3:27])[cH:24][cH:25][cH:26]1.[CH2:41]([CH2:42][O:43][CH3:44])[O:45][CH3:46].[CH3:29][c:30]1[cH:31][cH:32][cH:33][c:34]([CH3:35])[c:36]1[C:37]([O:38][CH3:39])=[O:40].[CH3:47][O:48][C:49]([CH3:50])([CH3:51])[CH3:52].[CH3:9][C:10]([CH3:11])([O-:12])[CH3:13].[CH:1]1([OH:8])[CH2:2][CH:3]([OH:7])[CH2:4][CH2:5][CH2:6]1.[K+:14].[OH2:53]>>[CH:1]1([O:8][CH2:16][c:17]2[c:18]([C:19](=[O:20])[O:21][CH3:22])[c:23]([CH3:27])[cH:24][cH:25][cH:26]2)[CH2:2][CH:3]([OH:7])[CH2:4][CH2:5][CH2:6]1
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 259Bromide ionHCID 813Potassium CationHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 104331,3-CyclohexanediolHCID 15413tert-Butyl methyl etherHCID 519028Methyl 2,6-dimethylbenzoate
HCID 4574913
2-Methylpropan-2-olate
HCID 10263795Methyl 2-(bromomethyl)-6-methylbenzoate

Product 1

HCID 21980299Methyl 2-(3-hydroxycyclohexyloxymethyl)-6-methylbenzoate

Sources & evidence

ORD record
ord-1fd70e8d8d09466ea12503b7a5c2687b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes