Chloride → HCID 23332930, compound

HRID 294458Notes

Reaction equation

[Al+3:22].[Al+3:26].[CH2:40]([O:41][CH2:42][CH3:43])[CH3:44].[CH:31](=[O:32])[O:33][CH3:34].[Cl-:21].[Cl-:23].[Cl-:24].[Cl:1][C:2]([CH:3]1[O:4][c:5]2[c:6]([cH:13][c:14]([CH:17]=[O:18])[cH:15][cH:16]2)[CH:7]([C:9]([Cl:10])([Cl:11])[Cl:12])[O:8]1)([Cl:19])[Cl:20].[H-:25].[H-:28].[H-:29].[H-:30].[Li+:27].[S:35](=[O:36])(=[O:37])([OH:38])[OH:39]>>[Cl:1][C:2]([CH:3]1[O:4][c:5]2[c:6]([cH:13][c:14]([CH2:17][O:18][CH:31]=[O:32])[cH:15][cH:16]2)[CH:7]([C:9]([Cl:10])([Cl:11])[Cl:12])[O:8]1)([Cl:19])[Cl:20]

Participants

Reactant 8

HCID 312Chloride3×

HCID 1118Sulfuric Acid

HCID 3283Diethyl Ether

HCID 7865Methyl formate

HCID 28486Lithium ion

HCID 104727Aluminum Cation2×

HCID 166653Hydride4×

HCID 233329222,4-Bis(trichloromethyl)-2H,4H-1,3-benzodioxine-6-carbaldehyde

Product 1

HCID 23332930HCID 23332930, compound

Sources & evidence

ORD record: ord-b548f61f24b940308f3ab6ce9f55a82f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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