1,2-Dichloroethane → HCID 22461793, compound

HRID 319012

Reaction equation

HRID 319012 reaction equation
[Al+3:12].[Cl-:11].[Cl-:13].[Cl-:14].[Cl:33][CH2:34][CH2:35][Cl:36].[Na+:28].[OH:29][C:30](=[O:31])[O-:32].[c:15]1([CH2:21][CH2:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:16][cH:17][cH:18][cH:19][cH:20]1.[c:1]1([CH2:7][C:8](=[O:9])[Cl:10])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][C:8](=[O:9])[c:18]2[cH:17][cH:16][c:15]([CH2:21][CH2:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:20][cH:19]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 312Chloride3×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 7679Phenylacetyl chlorideHCID 16237Ethyl 3-phenylpropionateHCID 104727Aluminum Cation

Product 1

HCID 22461793HCID 22461793, compound

Sources & evidence

ORD record
ord-00e95da8fe674004908997f6f21dd525
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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