tert-Butyl mercaptan → (2'-tert-Butylsulfanylmethyl-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid ethyl ester

HRID 690195

Reaction equation

HRID 690195 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].[CH3:27][C:28]([CH3:29])([CH3:30])[SH:31]>>[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:31][C:28]([CH3:27])([CH3:29])[CH3:30])[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 6387tert-Butyl mercaptanHCID 67430388(2'-Bromomethyl-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid ethyl ester

Product 1

HCID 67430962(2'-tert-Butylsulfanylmethyl-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid ethyl ester

Sources & evidence

ORD record
ord-88d4f80d98044b9d9fd496401c81037c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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