Ammonium → 4-((3,3,5,5-Tetramethylcyclohexylidene){4-[(trimethylsilyl)ethynyl]phenyl}methyl)phenol

HRID 161423Notes

Reaction equation

HRID 161423 reaction equation
[CH3:35][Si:36]([CH3:37])([CH3:38])[C:39]#[CH:40].[CH:26]([N:27]([CH2:28][CH3:29])[CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[Cl-:41].[Cu:89][I:90].[I:1][c:2]1[cH:3][cH:4][c:5]([C:8]([c:9]2[cH:10][cH:11][c:12]([OH:15])[cH:13][cH:14]2)=[C:16]2[CH2:17][C:18]([CH3:24])([CH3:25])[CH2:19][C:20]([CH3:22])([CH3:23])[CH2:21]2)[cH:6][cH:7]1.[NH4+:42].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:91].[Pd:48]([Cl:49])[Cl:50].[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1.[c:70]1([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[cH:84][cH:85][cH:86][cH:87][cH:88]1>>[c:2]1([C:40]#[C:39][Si:36]([CH3:35])([CH3:37])[CH3:38])[cH:3][cH:4][c:5]([C:8]([c:9]2[cH:10][cH:11][c:12]([OH:15])[cH:13][cH:14]2)=[C:16]2[CH2:17][C:18]([CH3:24])([CH3:25])[CH2:19][C:20]([CH3:22])([CH3:23])[CH2:21]2)[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 223AmmoniumHCID 312ChlorideHCID 962WaterHCID 6228DimethylformamideHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 66111TrimethylsilylacetyleneHCID 81531DiisopropylethylamineHCID 686545464-[(4-Iodophenyl)(3,3,5,5-tetramethylcyclohexylidene)methyl]phenol

Product 1

HCID 686547694-((3,3,5,5-Tetramethylcyclohexylidene){4-[(trimethylsilyl)ethynyl]phenyl}methyl)phenol

Sources & evidence

ORD record
ord-81dd1b894a904712b092866c6dc781cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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