Nitrogen → 2-Chloro-4-(2-(trimethylsilyl)ethynyl)pyrimidine

HRID 1538387Notes

Reaction equation

HRID 1538387 reaction equation
[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:30][Si:31]([CH3:32])([CH3:33])[C:34]#[CH:35].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[Cl:20][c:21]1[n:22][cH:23][cH:24][c:25]([Cl:27])[n:26]1.[N:28]#[N:29].[Pd:48]([Cl:49])[Cl:50].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]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:70]1([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[cH:84][cH:85][cH:86][cH:87][cH:88]1>>[Cl:20][c:21]1[n:22][cH:23][cH:24][c:25]([C:35]#[C:34][Si:31]([CH3:30])([CH3:32])[CH3:33])[n:26]1

Participants

8

Reactant 7

HCID 947NitrogenHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 11776Triphenylphosphine3×HCID 24290Palladium ChlorideHCID 66111TrimethylsilylacetyleneHCID 775312,4-Dichloropyrimidine

Product 1

HCID 115720232-Chloro-4-(2-(trimethylsilyl)ethynyl)pyrimidine

Sources & evidence

ORD record
ord-ab9cb59b48574d22847809cb26557671
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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