Water → 2-[(4-Methylphenyl)ethynyl]aniline

HRID 2347434Notes

Reaction equation

HRID 2347434 reaction equation
[C:9](#[CH:10])[c:11]1[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]1.[CH2:19]([NH:20][CH2:21][CH3:22])[CH3:23].[Cu:65]([I:66])[I:67].[I:1][c:2]1[c:3]([NH2:4])[cH:5][cH:6][cH:7][cH:8]1.[OH2:18].[Pd:24]([Cl:25])[Cl:26].[c:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1.[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[c:2]1([C:10]#[C:9][c:11]2[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]2)[c:3]([NH2:4])[cH:5][cH:6][cH:7][cH:8]1

Participants

8

Reactant 7

HCID 962WaterHCID 8021DiethylamineHCID 11776Triphenylphosphine2×HCID 119952-IodoanilineHCID 13018p-EthynyltolueneHCID 24290Palladium ChlorideHCID 83717Copper iodide

Product 1

HCID 143418262-[(4-Methylphenyl)ethynyl]aniline

Sources & evidence

ORD record
ord-12fae71e6876405fb7ca804cf9efc0f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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