Methanol → (+/-)-5-[1-(2,6-Dimethyl-4'-trifluoromethyl-biphenyl-4-yloxy)-ethyl]-thiophene-2-carboxylic acid ethyl ester

HRID 290450Notes

Reaction equation

HRID 290450 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[s:7][c:8]([CH:11]([CH3:12])[OH:13])[cH:9][cH:10]1.[CH3:14][c:15]1[c:16](-[c:23]2[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]2)[c:17]([CH3:22])[cH:18][c:19]([OH:21])[cH:20]1.[CH3:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[CH3:77][OH:78].[N:52]([C:53]([N:54]1[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]1)=[O:60])=[N:61][C:62]([N:63]1[CH2:64][CH2:65][CH2:66][CH2:67][CH2:68]1)=[O:69].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[s:7][c:8]([CH:11]([CH3:12])[O:13][c:19]2[cH:18][c:17]([CH3:22])[c:16](-[c:23]3[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]3)[c:15]([CH3:14])[cH:20]2)[cH:9][cH:10]1

Participants

7

Reactant 6

HCID 887MethanolHCID 1140TolueneHCID 11776TriphenylphosphineHCID 730421,1'-(Azodicarbonyl)dipiperidineHCID 569717492,6-Dimethyl-4'-(trifluoromethyl)-[1,1'-biphenyl]-4-olHCID 59355961Ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate

Product 1

HCID 67485105(+/-)-5-[1-(2,6-Dimethyl-4'-trifluoromethyl-biphenyl-4-yloxy)-ethyl]-thiophene-2-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-22942c0eba3e48eaa3e7619116fe4875
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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