Acetate → 1-Methyl-4-(4-phenoxy-quinazolin-6-ylethynyl)-piperidin-4-ol

HRID 2320206Notes

Reaction equation

HRID 2320206 reaction equation
[C:19](#[CH:20])[C:21]1([OH:28])[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]1.[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[I:1][c:2]1[cH:3][c:4]2[c:5]([O:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[n:6][cH:7][n:8][c:9]2[cH:10][cH:11]1.[O-:49][C:50]([CH3:51])=[O:52].[O-:53][C:54]([CH3:55])=[O:56].[Pd+2:48].[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[c:2]1([C:20]#[C:19][C:21]2([OH:28])[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]2)[cH:3][c:4]2[c:5]([O:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[n:6][cH:7][n:8][c:9]2[cH:10][cH:11]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 8471TriethylamineHCID 11776TriphenylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 14190994-Ethynyl-1-methylpiperidin-4-olHCID 113024646-Iodo4-phenoxyquinazoline

Product 1

HCID 186164891-Methyl-4-(4-phenoxy-quinazolin-6-ylethynyl)-piperidin-4-ol

Sources & evidence

ORD record
ord-6b5389c973014cd6aca60b164eef7434
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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