Chloride → HCID 21568949, compound

Reaction equation

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

Participants

Reactant 6

HCID 312Chloride3×

HCID 313Hydrochloric Acid

HCID 6344Dichloromethane

HCID 66054Isovaleryl chloride

HCID 104727Aluminum Cation

HCID 12741931HCID 12741931, compound

Product 1

HCID 21568949HCID 21568949, compound

Sources & evidence

ORD record: ord-fa4c678f45ae44d0b282f208acc95a95
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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