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Acetone → 3-(Octadecyloxy)-5-[(5-methoxy-5-oxopentyl)oxy]benzoic acid phenylmethyl ester

HRID 95368
Notes
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Reaction equation

HRID 95368 reaction equation
[Br:37][CH2:38][CH2:39][CH2:40][CH2:41][C:42](=[O:43])[O:44][CH3:45].[C:46](=[O:47])([O-:48])[O-:49].[CH3:54][C:55](=[O:56])[CH3:57].[I-:53].[K+:50].[K+:51].[Na+:52].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[c:1]1([CH2:7][O:8][C:9]([c:10]2[cH:11][c:12]([OH:35])[cH:13][c:14]([O:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])[cH:15]2)=[O:36])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][O:8][C:9]([c:10]2[cH:11][c:12]([O:35][CH2:38][CH2:39][CH2:40][CH2:41][C:42](=[O:43])[O:44][CH3:45])[cH:13][c:14]([O:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])[cH:15]2)=[O:36])[cH:2][cH:3][cH:4][cH:5][cH:6]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 180AcetoneHCID 813Potassium Cation2×HCID 923Sodium IonHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 79557Methyl 5-bromovalerate
HCID 15233476
3-Hydroxy-5-(octadecyloxy)benzoic acid phenylmethyl ester

Product 1

HCID 543871533-(Octadecyloxy)-5-[(5-methoxy-5-oxopentyl)oxy]benzoic acid phenylmethyl ester

Sources & evidence

ORD record
ord-e1a49b9812bc4f539b5db632113d3647
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes