Acetone → 3,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]-

HRID 1141973Notes

Reaction equation

HRID 1141973 reaction equation
[B:30]([Br:31])([Br:32])[Br:33].[C:45](=[O:46])([O-:47])[O-:48].[CH2:51]([Cl:52])[Cl:53].[CH3:15][O:16][c:17]1[cH:18][cH:19][c:20]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][Br:27])[cH:28][cH:29]1.[CH3:36][CH2:37][C:38]([CH2:39][C:40]([CH2:41][CH3:42])=[O:43])=[O:44].[CH3:54][C:55](=[O:56])[CH3:57].[I-:35].[K+:34].[K+:49].[K+:50].[OH:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][Br:14])[cH:6][cH:7]1>>[OH:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH:39]([C:38]([CH2:37][CH3:36])=[O:44])[C:40]([CH2:41][CH3:42])=[O:43])[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 180AcetoneHCID 813Potassium Cation3×HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 25134Boron tribromideHCID 30165Iodide IonHCID 819233,5-HeptanedioneHCID 10588171Benzene, 1-(6-bromohexyl)-4-methoxy-HCID 106587816-(4-Hydroxyphenyl)hexyl bromide

Product 1

HCID 5143233,5-Heptanedione, 4-[6-(4-hydroxyphenyl)hexyl]-

Sources & evidence

ORD record
ord-55132866485e4451913958e6e7474fd9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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