Acetonitrile → 3-(5-Chloropyridin-3-ylethynyl)-benzonitrile

HRID 312205

Reaction equation

HRID 312205 reaction equation
[C:15](#[CH:16])[c:17]1[cH:18][c:19]([C:20]#[N:21])[cH:22][cH:23][cH:24]1.[C:1](=[O:2])([O-:3])[O-:4].[C:62](#[N:63])[CH3:64].[C:65](#[N:66])[CH3:67].[CH:25]1([P:26]([CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2-[c:39]2[c:40]([CH:41]([CH3:42])[CH3:43])[cH:44][c:45]([CH:46]([CH3:47])[CH3:48])[cH:49][c:50]2[CH:51]([CH3:52])[CH3:53])[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]1.[Cl:7][c:8]1[cH:9][n:10][cH:11][c:12]([Cl:14])[cH:13]1.[Cs+:5].[Cs+:6].[Pd:59]([Cl:60])[Cl:61]>>[c:8]1([C:16]#[C:15][c:17]2[cH:18][c:19]([C:20]#[N:21])[cH:22][cH:23][cH:24]2)[cH:9][n:10][cH:11][c:12]([Cl:14])[cH:13]1

Participants

8

Reactant 7

HCID 6342Acetonitrile2×HCID 171533,5-DichloropyridineHCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 104967Cesium cation2×HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 120889643-Ethynylbenzonitrile

Product 1

HCID 670477693-(5-Chloropyridin-3-ylethynyl)-benzonitrile

Sources & evidence

ORD record
ord-53ed53d780214efe9eed06a1e1f54e08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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