Sodium ion → 4'-[Cyclooctylidene(4-hydroxyphenyl)methyl]-4-biphenylcarbonitrile

HRID 689694Notes

Reaction equation

HRID 689694 reaction equation
[Br:35][c:36]1[cH:37][cH:38][c:39]([C:42]([c:43]2[cH:44][cH:45][c:46]([OH:49])[cH:47][cH:48]2)=[C:50]2[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]2)[cH:40][cH:41]1.[C:58](#[N:59])[c:60]1[cH:61][cH:62][c:63]([B:66]([OH:67])[OH:68])[cH:64][cH:65]1.[C:69](=[O:70])([O-:71])[O-:72].[CH3:1][S:2]([c:3]1[cH:4][cH:5][c:6](-[c:7]2[cH:8][cH:9][c:10]([C:11](=[C:12]3[CH2:13][C:14]([CH3:15])([CH3:16])[CH2:17][C:18]([CH3:19])([CH3:20])[CH2:21]3)[c:22]3[cH:23][cH:24][c:25]([OH:26])[cH:27][cH:28]3)[cH:29][cH:30]2)[cH:31][cH:32]1)(=[O:33])=[O:34].[Na+:73].[Na+:74].[OH2:116].[Pd:75]([Cl:76])[Cl:77].[c:78]1([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[cH:92][cH:93][cH:94][cH:95][cH:96]1.[c:97]1([P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112][cH:113][cH:114][cH:115]1>>[c:36]1(-[c:63]2[cH:62][cH:61][c:60]([C:58]#[N:59])[cH:65][cH:64]2)[cH:37][cH:38][c:39]([C:42]([c:43]2[cH:44][cH:45][c:46]([OH:49])[cH:47][cH:48]2)=[C:50]2[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]2)[cH:40][cH:41]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 27343264-Cyanophenylboronic acidHCID 111557414-[[4'-(Methylsulfonyl)-4-biphenylyl](3,3,5,5-tetramethylcyclohexylidene)methyl]phenolHCID 686544754-[(4-Bromophenyl)(cyclooctylidene)methyl]phenol

Product 1

HCID 113383804'-[Cyclooctylidene(4-hydroxyphenyl)methyl]-4-biphenylcarbonitrile

Sources & evidence

ORD record
ord-5d872cac40f446eea70b385d9a847243
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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