Potassium Cation → 2-[[5-[4-[5-(4,4,5,5,5-pentafluoropentylsulfonyl)pentoxy]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl]oxy]oxane

HRID 674674Notes

Reaction equation

HRID 674674 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[I:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][S:44](=[O:45])(=[O:46])[CH2:47][CH2:48][CH2:49][C:50]([C:51]([F:52])([F:53])[F:54])([F:55])[F:56].[K+:36].[K+:37].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[OH2:57].[c:1]1([C:7]2=[C:8]([c:25]3[cH:26][cH:27][c:28]([OH:31])[cH:29][cH:30]3)[c:9]3[c:10]([cH:14][c:15]([O:18][CH:19]4[O:20][CH2:21][CH2:22][CH2:23][CH2:24]4)[cH:16][cH:17]3)[CH2:11][CH2:12][CH2:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]2=[C:8]([c:25]3[cH:26][cH:27][c:28]([O:31][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][S:44](=[O:45])(=[O:46])[CH2:47][CH2:48][CH2:49][C:50]([C:51]([F:52])([F:53])[F:54])([F:55])[F:56])[cH:29][cH:30]3)[c:9]3[c:10]([cH:14][c:15]([O:18][CH:19]4[O:20][CH2:21][CH2:22][CH2:23][CH2:24]4)[cH:16][cH:17]3)[CH2:11][CH2:12][CH2:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 183800741,1,1,2,2-Pentafluoro-5-(5-iodopentylsulfonyl)pentaneHCID 21868882HCID 21868882, compound

Product 1

HCID 218689302-[[5-[4-[5-(4,4,5,5,5-pentafluoropentylsulfonyl)pentoxy]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl]oxy]oxane

Sources & evidence

ORD record
ord-b579af9c65aa4ae194fe9a6fed8fb8c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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