1,2-Dichloroethane → 3,3,3-Trinitropropyl Pentafluorothioacetate

HRID 181449

Reaction equation

HRID 181449 reaction equation
[Cl:28][CH2:29][CH2:30][Cl:31].[F:1][S:2](=[C:3]([C:4]([F:5])([F:6])[F:7])[OH:8])[F:9].[N+:10](=[O:11])([O-:12])[C:13]([CH2:14][CH2:15][OH:16])([N+:17](=[O:18])[O-:19])[N+:20](=[O:21])[O-:22].[S:23](=[O:24])(=[O:25])([OH:26])[OH:27]>>[F:1][S:2](=[C:3]([C:4]([F:5])([F:6])[F:7])[O:8][CH2:15][CH2:14][C:13]([N+:10](=[O:11])[O-:12])([N+:17](=[O:18])[O-:19])[N+:20](=[O:21])[O-:22])[F:9]

Participants

5

Reactant 4

HCID 111,2-DichloroethaneHCID 1118Sulfuric AcidHCID 130864113,3,3-Trinitropropan-1-olHCID 86743239Pentafluorothioacetic acid

Product 1

HCID 571744253,3,3-Trinitropropyl Pentafluorothioacetate

Sources & evidence

ORD record
ord-2f3929650a6d493fa18402881f49f682
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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