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

HRID 1148183Notes

Reaction equation

HRID 1148183 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].[CH3:36][OH:37].[CH3:81][CH2:82][O:83][C:84]([CH3:85])=[O:86].[CH3:87][CH2:88][CH2:89][CH2:90][CH2:91][CH3:92].[Cs+:30].[Cu:38][I:39].[F-:29].[O:31]=[CH:32][N:33]([CH3:34])[CH3:35].[OH2:93].[Pd:40]([Cl:41])[Cl:42].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]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

14

Reactant 13

HCID 887MethanolHCID 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-1e5340a65d344411922dfcca37ec11d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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