Ammonium → 4-{Cycloheptylidene[4-(5-hydroxy-1-pentyn-1-yl)phenyl]methyl}phenol

HRID 195385Notes

Reaction equation

HRID 195385 reaction equation
[Br: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][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:6][cH:7]1.[CH2:32]([CH2:33][CH2:34][C:35]#[CH:36])[OH:37].[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[Cl-:38].[Cu:86][I:87].[NH4+:39].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:88].[Pd:45]([Cl:46])[Cl:47].[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1>>[c:2]1([C:36]#[C:35][CH2:34][CH2:33][CH2:32][OH:37])[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][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]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 793464-Pentyn-1-olHCID 81531DiisopropylethylamineHCID 686541254-[(4-Bromophenyl)(cycloheptylidene)methyl]phenol

Product 1

HCID 111992024-{Cycloheptylidene[4-(5-hydroxy-1-pentyn-1-yl)phenyl]methyl}phenol

Sources & evidence

ORD record
ord-086cf1a391ab455682e14c0b671ccbb3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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