Chloride → Celestolide

HRID 2316724Notes

Reaction equation

HRID 2316724 reaction equation
[Al+3:21].[CH3:16][C:17]([Cl:18])=[O:19].[CH3:1][C:2]1([CH3:15])[CH2:3][CH2:4][c:5]2[cH:6][cH:7][c:8]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:9][c:10]21.[CH3:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29].[Cl-:20].[Cl-:22].[Cl-:23].[OH2:30]>>[CH3:1][C:2]1([CH3:15])[CH2:3][CH2:4][c:5]2[c:6]([C:17]([CH3:16])=[O:19])[cH:7][c:8]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:9][c:10]21

Participants

7

Reactant 6

HCID 312Chloride3×HCID 962WaterHCID 6367Acetyl chlorideHCID 8058HexaneHCID 771541H-Indene, 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-HCID 104727Aluminum Cation

Product 1

HCID 61585Celestolide

Sources & evidence

ORD record
ord-36975badadf54a5394aa0488b2ce16c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…