2-Methyl-3-butyn-2-ol → 2-Methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-but-3-yn-2-ol

HRID 1209595Notes

Reaction equation

HRID 1209595 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[n:8][c:9]([NH:13][CH:14]3[CH2:15][C:16]([CH3:22])([CH3:23])[NH:17][C:18]([CH3:20])([CH3:21])[CH2:19]3)[n:10][cH:11][cH:12]2)[s:6]1.[CH3:24][C:25]([CH3:26])([C:27]#[CH:28])[OH:29].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[Cu:78][I:79].[Pd:37]([Cl:38])[Cl:39].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1.[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[c:2]1([C:28]#[C:27][C:25]([CH3:24])([CH3:26])[OH:29])[cH:3][cH:4][c:5](-[c:7]2[n:8][c:9]([NH:13][CH:14]3[CH2:15][C:16]([CH3:22])([CH3:23])[NH:17][C:18]([CH3:20])([CH3:21])[CH2:19]3)[n:10][cH:11][cH:12]2)[s:6]1

Participants

7

Reactant 6

HCID 82582-Methyl-3-butyn-2-olHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 57936128{4-[5-Bromothiophen-2-yl]-pyrimidin-2-yl}-(2,2,6,6-tetramethyl-piperidin-4-yl)-amine

Product 1

HCID 113839722-Methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-but-3-yn-2-ol

Sources & evidence

ORD record
ord-ffea700a8b564910af5dbc512d5a772d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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