2,2,2-Trifluoroethanethiol → [6-Methoxy-2'-(2,2,2-trifluoro-ethylsulfanylmethyl)-4'-trifluoromethyl-biphenyl-3-yl]-acetic acid ethyl ester

HRID 316172Notes

Reaction equation

HRID 316172 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8](-[c:14]2[c:15]([CH2:24][Br:25])[cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[c:9]([O:12][CH3:13])[cH:10][cH:11]1)=[O:26].[F:27][C:28]([CH2:29][SH:30])([F:31])[F:32]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8](-[c:14]2[c:15]([CH2:24][S:30][CH2:29][C:28]([F:27])([F:31])[F:32])[cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[c:9]([O:12][CH3:13])[cH:10][cH:11]1)=[O:26]

Participants

3

Reactant 2

HCID 41339242,2,2-TrifluoroethanethiolHCID 67430388(2'-Bromomethyl-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid ethyl ester

Product 1

HCID 86658174[6-Methoxy-2'-(2,2,2-trifluoro-ethylsulfanylmethyl)-4'-trifluoromethyl-biphenyl-3-yl]-acetic acid ethyl ester

Sources & evidence

ORD record
ord-fcf717d9a66545f49caf641cffcd7521
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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