Water → 4-(2,2-Dimethyl-propylamino)-5-ethynyl-pyrimidine-2-carbonitrile

HRID 1221601Notes

Reaction equation

HRID 1221601 reaction equation
[Br:1][c:2]1[c:3]([NH:10][CH2:11][C:12]([CH3:13])([CH3:14])[CH3:15])[n:4][c:5]([C:8]#[N:9])[n:6][cH:7]1.[C:16](#[CH:17])[Si:18]([CH3:19])([CH3:20])[CH3:21].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:79][CH2:80][O:81][C:82]([CH3:83])=[O:84].[CH3:85][CH2:86][CH2:87][CH2:88][CH2:89][CH3:90].[Cs+:30].[Cu:36][I:37].[F-:29].[O:31]=[CH:32][N:33]([CH3:34])[CH3:35].[OH2:91].[Pd:38]([Cl:39])[Cl:40].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1>>[c:2]1([C:16]#[CH:17])[c:3]([NH:10][CH2:11][C:12]([CH3:13])([CH3:14])[CH3:15])[n:4][c:5]([C:8]#[N:9])[n:6][cH:7]1

Participants

13

Reactant 12

HCID 962WaterHCID 6228DimethylformamideHCID 8058HexaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 28179Fluoride IonHCID 66111TrimethylsilylacetyleneHCID 104967Cesium cationHCID 179681615-Bromo-4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile

Product 1

HCID 577141354-(2,2-Dimethyl-propylamino)-5-ethynyl-pyrimidine-2-carbonitrile

Sources & evidence

ORD record
ord-0272eb294aeb4aa9921d31e8653b7283
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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