Diethylamine → 4-[1,1-Dimethyl-3-(2-methoxyphenyl)-2-propynyloxy]benzonitrile

HRID 668679

Reaction equation

HRID 668679 reaction equation
[CH2:43]([NH:44][CH2:45][CH3:46])[CH3:47].[CH3:29][C:30]([C:31]#[CH:32])([O:33][c:34]1[cH:35][cH:36][c:37]([C:38]#[N:39])[cH:40][cH:41]1)[CH3:42].[Cl:48][Pd:49][Cl:50].[Cu:51][I:52].[I:1][c:2]1[c:3]([O:8][CH3:9])[cH:4][cH:5][cH:6][cH:7]1.[c:10]1([P:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[c:2]1([C:32]#[C:31][C:30]([CH3:29])([O:33][c:34]2[cH:35][cH:36][c:37]([C:38]#[N:39])[cH:40][cH:41]2)[CH3:42])[c:3]([O:8][CH3:9])[cH:4][cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 8021DiethylamineHCID 11776TriphenylphosphineHCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 68257o-IodoanisoleHCID 27790724-[(2-Methylbut-3-yn-2-yl)oxy]benzonitrile

Product 1

HCID 198956454-[1,1-Dimethyl-3-(2-methoxyphenyl)-2-propynyloxy]benzonitrile

Sources & evidence

ORD record
ord-f732bbc7dd654e43b57723255b122ae5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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