Hydrochloric Acid → 2-[[4-Cyano-3-(trifluoromethyl)phenyl](2,2,2-trifluoroethyl)amino]ethyl methanesulfonate

Reaction equation

[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:29][S:30]([Cl:31])(=[O:32])=[O:33].[Cl:35][CH2:36][Cl:37].[ClH:34].[OH:1][CH2:2][CH2:3][N:4]([c:5]1[cH:6][c:7]([C:13]([F:14])([F:15])[F:16])[c:8]([C:9]#[N:10])[cH:11][cH:12]1)[CH2:17][C:18]([F:19])([F:20])[F:21]>>[O:1]([CH2:2][CH2:3][N:4]([c:5]1[cH:6][c:7]([C:13]([F:14])([F:15])[F:16])[c:8]([C:9]#[N:10])[cH:11][cH:12]1)[CH2:17][C:18]([F:19])([F:20])[F:21])[S:30]([CH3:29])(=[O:32])=[O:33]

Participants

Reactant 5

HCID 313Hydrochloric Acid

HCID 6344Dichloromethane

HCID 8471Triethylamine

HCID 31297Methanesulfonyl chloride

HCID 866237314-[(2-Hydroxyethyl)(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile

Product 1

HCID 866237322-[[4-Cyano-3-(trifluoromethyl)phenyl](2,2,2-trifluoroethyl)amino]ethyl methanesulfonate

Sources & evidence

ORD record: ord-4e43e6797a35430482de515eba88598c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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