Acetonitrile → 5-[5-Amino-6-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]pyrimidin-4-yl]pent-2-en-4-yn-1-ol

HRID 1226854Notes

Reaction equation

HRID 1226854 reaction equation
[CH2:26]([CH:27]=[CH:28][C:29]#[CH:30])[OH:31].[CH3:32][C:33]#[N:34].[Cu:35][I:36].[I:2][c:3]1[c:4]([NH2:25])[c:5]([NH:9][c:10]2[cH:11][c:12]([CH3:24])[c:13]([O:16][c:17]3[cH:18][n:19][c:20]([CH3:23])[cH:21][cH:22]3)[cH:14][cH:15]2)[n:6][cH:7][n:8]1.[IH:1]>>[c:3]1([C:30]#[C:29][CH:28]=[CH:27][CH2:26][OH:31])[c:4]([NH2:25])[c:5]([NH:9][c:10]2[cH:11][c:12]([CH3:24])[c:13]([O:16][c:17]3[cH:18][n:19][c:20]([CH3:23])[cH:21][cH:22]3)[cH:14][cH:15]2)[n:6][cH:7][n:8]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 24841Hydrogen iodideHCID 977582-Penten-4-yn-1-olHCID 866157486-iodo-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]pyrimidine-4,5-diamine

Product 1

HCID 909075215-[5-Amino-6-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]pyrimidin-4-yl]pent-2-en-4-yn-1-ol

Sources & evidence

ORD record
ord-c4bfd164a94c45538dc90bbd8f43e641
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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