3,3-Dimethyl-1-butyne → HCID 57756219, compound

HRID 2338904Notes

Reaction equation

HRID 2338904 reaction equation
[CH3:34][C:35]([C:36]#[CH:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[n:3][n:4][c:5]([NH:12][c:13]2[cH:14][cH:15][c:16]([O:19][c:20]3[n:21][cH:22][cH:23][cH:24][c:25]3-[c:26]3[n:27][c:28]([NH:32][CH3:33])[n:29][cH:30][cH:31]3)[cH:17][cH:18]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[Cu:40][I:41]>>[c:2]1([C:37]#[C:36][C:35]([CH3:34])([CH3:38])[CH3:39])[n:3][n:4][c:5]([NH:12][c:13]2[cH:14][cH:15][c:16]([O:19][c:20]3[n:21][cH:22][cH:23][cH:24][c:25]3-[c:26]3[n:27][c:28]([NH:32][CH3:33])[n:29][cH:30][cH:31]3)[cH:17][cH:18]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12

Participants

4

Reactant 3

HCID 135123,3-Dimethyl-1-butyneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 426043304-chloro-N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)phthalazin-1-amine

Product 1

HCID 57756219HCID 57756219, compound

Sources & evidence

ORD record
ord-edbda0b3eef245329dd8cd28478f8051
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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