Acetonitrile → Tert-butyl 3-[5-amino-6-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)pyrimidin-4-yl]-2-propynylcarbamate

HRID 188685Notes

Reaction equation

HRID 188685 reaction equation
[CH2:26]([C:27]#[CH:28])[NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36].[CH3:37][C:38]#[N:39].[Cu:40][I:41].[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:28]#[C:27][CH2:26][NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[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 11073648tert-butyl N-(prop-2-yn-1-yl)carbamateHCID 866157486-iodo-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]pyrimidine-4,5-diamine

Product 1

HCID 67520587Tert-butyl 3-[5-amino-6-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)pyrimidin-4-yl]-2-propynylcarbamate

Sources & evidence

ORD record
ord-6eb0f27a8d884c6ba8976a26a0fef4ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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