Potassium Cation → Methyl 4-[2-[2-(4-cyanophenyl)ethyl]-4-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]but-3-enyl]benzoate

HRID 675004

Reaction equation

HRID 675004 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:9][CH2:10][CH:11]([CH2:12][c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[O:19][CH3:20])[cH:21][cH:22]2)[CH:23]=[CH:24][c:25]2[c:26]([OH:31])[cH:27][cH:28][cH:29][cH:30]2)[cH:7][cH:8]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:50][C:51]#[N:52].[F:32][C:33]([c:34]1[c:35]([CH2:36][Br:37])[cH:38][cH:39][cH:40][cH:41]1)([F:42])[F:43].[K+:48].[K+:49]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:9][CH2:10][CH:11]([CH2:12][c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[O:19][CH3:20])[cH:21][cH:22]2)[CH:23]=[CH:24][c:25]2[c:26]([O:31][CH2:36][c:35]3[c:34]([C:33]([F:32])([F:42])[F:43])[cH:41][cH:40][cH:39][cH:38]3)[cH:27][cH:28][cH:29][cH:30]2)[cH:7][cH:8]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 1230571-(Bromomethyl)-2-(trifluoromethyl)benzeneHCID 67353032Methyl 4-[2-[2-(4-cyanophenyl)ethyl]-4-(2-hydroxyphenyl)but-3-enyl]benzoate

Product 1

HCID 69066951Methyl 4-[2-[2-(4-cyanophenyl)ethyl]-4-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]but-3-enyl]benzoate

Sources & evidence

ORD record
ord-3bede885e59c4ba9b2bdfddf1720e3fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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