Dimethylformamide → 4-(2,2-Dimethyl-propylamino)-5-[3-oxo-3-(4-[1,2,3]triazol-1-yl-phenyl)-prop-1-ynyl]-pyrimidine-2-carbonitrile

HRID 2139552Notes

Reaction equation

HRID 2139552 reaction equation
[CH3:21][C:22]([CH2:23][NH:24][c:25]1[n:26][c:27]([C:33]#[N:34])[n:28][cH:29][c:30]1[C:31]#[CH:32])([CH3:35])[CH3:36].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[CH3:55][CH2:56][CH2:57][CH2:58][CH2:59][CH3:60].[Cl:15][C:16]([C:17]([Cl:18])=[O:19])=[O:20].[Cl:44][CH2:45][Cl:46].[Cu:47][I:48].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[n:1]1(-[c:6]2[cH:7][cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14]2)[n:2][n:3][cH:4][cH:5]1>>[n:1]1(-[c:6]2[cH:7][cH:8][c:9]([C:10](=[O:12])[C:32]#[C:31][c:30]3[c:25]([NH:24][CH2:23][C:22]([CH3:21])([CH3:35])[CH3:36])[n:26][c:27]([C:33]#[N:34])[n:28][cH:29]3)[cH:13][cH:14]2)[n:2][n:3][cH:4][cH:5]1

Participants

10

Reactant 9

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8058HexaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 65578Oxalyl chlorideHCID 226280454-(1H-1,2,3-triazol-1-yl)benzoic acidHCID 577141354-(2,2-Dimethyl-propylamino)-5-ethynyl-pyrimidine-2-carbonitrile

Product 1

HCID 577141314-(2,2-Dimethyl-propylamino)-5-[3-oxo-3-(4-[1,2,3]triazol-1-yl-phenyl)-prop-1-ynyl]-pyrimidine-2-carbonitrile

Sources & evidence

ORD record
ord-532685f4e9914ffea1e3a1214984eecc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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