1,2-Dichloroethane → 1-Chloro-7-hydroxy-4-nitro-9H-thioxanthen-9-one

Reaction equation

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

Participants

Reactant 4

HCID 111,2-Dichloroethane

HCID 312Chloride3×

HCID 104727Aluminum Cation

HCID 13590116HCID 13590116, compound

Product 1

HCID 135901181-Chloro-7-hydroxy-4-nitro-9H-thioxanthen-9-one

Sources & evidence

ORD record: ord-b05e6a3233334ecfb221cc6a718de30a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…