Acetonitrile → HCID 22291339, compound

HRID 669214Notes

Reaction equation

HRID 669214 reaction equation
[Br:1][c:2]1[s:3][cH:4][cH:5][n:6]1.[C:14](#[CH:15])[c:16]1[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]1.[CH3:23][C:24]#[N:25].[CH3:26][O:27][CH2:28][CH2:29][O:30][CH3:31].[CH3:7][CH2:8][N:9]([CH2:10][CH3:11])[CH2:12][CH3:13].[Cu:32][I:33].[Pd:34]([Cl:35])[Cl:36].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1.[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1>>[c:2]1([C:15]#[C:14][c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[s:3][cH:4][cH:5][n:6]1

Participants

9

Reactant 8

HCID 6342AcetonitrileHCID 80711,2-DimethoxyethaneHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 764302-BromothiazoleHCID 5226271-Ethynyl-4-fluorobenzene

Product 1

HCID 22291339HCID 22291339, compound

Sources & evidence

ORD record
ord-4d4f655546724abc9d255057a11bac5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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