Chloride → Ethyl 4,6,6-trichloro-7,7,7-trifluoro-3,3-dimethylheptanoate

HRID 120813

Reaction equation

HRID 120813 reaction equation
[C:25]([OH:26])([CH3:27])([CH3:28])[CH3:29].[CH3:1][C:2]([CH2:3][C:4](=[O:5])[O:6][CH2:7][CH3:8])([CH:9]=[CH2:10])[CH3:11].[Cl-:20].[Cl:12][C:13]([C:14]([F:15])([F:16])[F:17])([Cl:18])[Cl:19].[NH2:21][CH2:22][CH2:23][OH:24]>>[CH3:1][C:2]([CH2:3][C:4](=[O:5])[O:6][CH2:7][CH3:8])([CH:9]([CH2:10][C:13]([Cl:12])([C:14]([F:15])([F:16])[F:17])[Cl:18])[Cl:20])[CH3:11]

Participants

6

Reactant 5

HCID 312ChlorideHCID 700EthanolamineHCID 6386tert-ButanolHCID 96351,1,1-Trichloro-2,2,2-trifluoroethaneHCID 82262Ethyl 3,3-dimethylpent-4-enoate

Product 1

HCID 13020514Ethyl 4,6,6-trichloro-7,7,7-trifluoro-3,3-dimethylheptanoate

Sources & evidence

ORD record
ord-e1217c15b85545279efab2d59999595f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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