Potassium Cation → Methyl 4-[3-[(4-cyanophenyl)methyl]-5-[2-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methoxy]phenyl]pent-4-enyl]benzoate

HRID 662254Notes

Reaction equation

HRID 662254 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][CH:8]([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20]2)[CH:21]=[CH:22][c:23]2[c:24]([OH:29])[cH:25][cH:26][cH:27][cH:28]2)[cH:30][cH:31]1.[C:50](=[O:51])([O-:52])[O-:53].[CH3:56][C:57]#[N:58].[Cl:32][CH2:33][c:34]1[cH:35][cH:36][c:37]([C:40]([C:41]([F:42])([F:43])[F:44])([C:45]([F:46])([F:47])[F:48])[F:49])[cH:38][cH:39]1.[K+:54].[K+:55]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][CH:8]([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20]2)[CH:21]=[CH:22][c:23]2[c:24]([O:29][CH2:33][c:34]3[cH:35][cH:36][c:37]([C:40]([C:41]([F:42])([F:43])[F:44])([C:45]([F:46])([F:47])[F:48])[F:49])[cH:38][cH:39]3)[cH:25][cH:26][cH:27][cH:28]2)[cH:30][cH:31]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 205387711-Chloromethyl-4-(1,2,2,2-tetrafluoro-1-trifluoromethyl-ethyl)-benzeneHCID 67351872Methyl 4-[3-[(4-cyanophenyl)methyl]-5-(2-hydroxyphenyl)pent-4-enyl]benzoate

Product 1

HCID 72536574Methyl 4-[3-[(4-cyanophenyl)methyl]-5-[2-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methoxy]phenyl]pent-4-enyl]benzoate

Sources & evidence

ORD record
ord-f00ed637f4d14d3d9cd7405cb6489485
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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