Acetate → 1-[(4-Aminoquinazolin-7-yl)methyl]-4-[3-(6-methoxy-3-pyridinyl)prop-2-enyl]piperazin-2-one

HRID 672513Notes

Reaction equation

HRID 672513 reaction equation
[CH3:20][O:21][c:22]1[cH:23][cH:24][c:25]([CH:28]=[CH:29][CH2:30][O:31][C:32](=[O:33])[CH3:34])[cH:26][n:27]1.[CH3:55][C:56]#[N:57].[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([CH2:12][N:13]3[C:14](=[O:19])[CH2:15][NH:16][CH2:17][CH2:18]3)[cH:9][cH:10][c:11]12.[O-:59][C:60]([CH3:61])=[O:62].[O-:63][C:64]([CH3:65])=[O:66].[OH2:54].[Pd+2:58].[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([CH2:12][N:13]3[C:14](=[O:19])[CH2:15][N:16]([CH2:30][CH:29]=[CH:28][c:25]4[cH:24][cH:23][c:22]([O:21][CH3:20])[n:27][cH:26]4)[CH2:17][CH2:18]3)[cH:9][cH:10][c:11]12

Participants

9

Reactant 8

HCID 175Acetate2×HCID 962WaterHCID 6342AcetonitrileHCID 8471TriethylamineHCID 11776TriphenylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 179851741-(4-Aminoquinazoline-7-ylmethyl)piperazine-2-oneHCID 539352233-(6-Methoxy-3-pyridinyl)prop-2-enyl acetate

Product 1

HCID 543205271-[(4-Aminoquinazolin-7-yl)methyl]-4-[3-(6-methoxy-3-pyridinyl)prop-2-enyl]piperazin-2-one

Sources & evidence

ORD record
ord-f50a4e89461545c5a8d6164063fdf27e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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