Water → 4-(2,2-Dimethyl-propylamino)-5-[3-(4-pyridin-2-yl-piperazin-1-yl)-prop-1-ynyl]-pyrimidine-2-carbonitrile
Reaction equation
[Br:16][c:17]1[c:18]([NH:25][CH2:26][C:27]([CH3:28])([CH3:29])[CH3:30])[n:19][c:20]([C:23]#[N:24])[n:21][cH:22]1.[CH2:1]([C:2]#[CH:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[n:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:8][CH2:9]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[Cu:44][I:45].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:43].[Pd:46]([Cl:47])[Cl:48].[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[CH2:1]([C:2]#[C:3][c:17]1[c:18]([NH:25][CH2:26][C:27]([CH3:28])([CH3:29])[CH3:30])[n:19][c:20]([C:23]#[N:24])[n:21][cH:22]1)[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[n:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:8][CH2:9]1Participants
9
Reactant 8
HCID 962Water
HCID 6228Dimethylformamide
HCID 8471Triethylamine
HCID 11776Triphenylphosphine2×
HCID 24290Palladium Chloride
HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
HCID 106319131-(2-Propynyl)-4-(2-pyridinyl)-piperazine
HCID 179681615-Bromo-4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrileProduct 1
Sources & evidence
- ORD record
- ord-58875ed0906a419e8c263d6c4ede9e46
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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