Hydrochloric Acid → 4-Propyl-3'-fluoro-4'-cyanotolan

HRID 1542284Notes

Reaction equation

HRID 1542284 reaction equation
[C:1](#[N:2])[c:3]1[c:4]([F:10])[cH:5][c:6]([I:9])[cH:7][cH:8]1.[CH2:12]([CH2:13][CH3:14])[c:15]1[cH:16][cH:17][c:18]([C:21]#[CH:22])[cH:19][cH:20]1.[CH3:24][N:25]([CH3:26])[CH:27]=[O:28].[ClH:23].[I-:11].[Pd:29]([Cl:30])[Cl:31].[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47][cH:48][cH:49][cH:50]1.[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:1](#[N:2])[c:3]1[c:4]([F:10])[cH:5][c:6]([C:22]#[C:21][c:18]2[cH:17][cH:16][c:15]([CH2:12][CH2:13][CH3:14])[cH:20][cH:19]2)[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 30165Iodide IonHCID 27745182-Fluoro-4-iodobenzonitrileHCID 27751331-Ethynyl-4-propylbenzene

Product 1

HCID 152407024-Propyl-3'-fluoro-4'-cyanotolan

Sources & evidence

ORD record
ord-731f1ed68e0642f78cb593008be0961d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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