Chloride → (2,6-Dimethyl-3-propan-2-ylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate

HRID 1146510Notes

Reaction equation

HRID 1146510 reaction equation
[CH3:1][c:2]1[c:3]([CH2:12][OH:13])[c:4]([CH3:11])[cH:5][cH:6][c:7]1[CH:8]([CH3:9])[CH3:10].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl-:14].[Cl:15][C:16](=[CH:17][CH:18]1[C:19]([CH3:24])([CH3:25])[CH:20]1[C:21](=[O:22])[OH:23])[C:26]([F:27])([F:28])[F:29].[cH:30]1[cH:31][cH:32][n:33][cH:34][cH:35]1>>[CH3:1][c:2]1[c:3]([CH2:12][O:13][C:21]([CH:20]2[CH:18]([CH:17]=[C:16]([Cl:15])[C:26]([F:27])([F:28])[F:29])[C:19]2([CH3:24])[CH3:25])=[O:22])[c:4]([CH3:11])[cH:5][cH:6][c:7]1[CH:8]([CH3:9])[CH3:10]

Participants

6

Reactant 5

HCID 312ChlorideHCID 1049PyridineHCID 1140TolueneHCID 156507Z-(1R,S)-cis-2,2-dimethyl-3-(2,2-chloro-3,3,3-trifluoro-1-propenyl)cyclopropanecarboxylic acidHCID 20437159[2,6-Dimethyl-3-(1-methylethyl)phenyl]methanol

Product 1

HCID 173428127(2,6-Dimethyl-3-propan-2-ylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate

Sources & evidence

ORD record
ord-1212accdf4344e8b8eb26c8bc94e71dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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