Acetate → 1-(3,4-Methylenedioxyphenyl)-2-[5-(3-pyridinyl)-pyrimidin-2-yl)-2,3,4,9-tetrahydro-1H-beta-carboline

HRID 96242Notes

Reaction equation

HRID 96242 reaction equation
[CH2:1]1[O:2][c:3]2[cH:4][c:5]([CH:10]3[N:11]([c:23]4[n:24][cH:25][c:26]([Br:29])[cH:27][n:28]4)[CH2:12][CH2:13][c:14]4[c:15]5[cH:16][cH:17][cH:18][cH:19][c:20]5[nH:21][c:22]43)[cH:6][cH:7][c:8]2[O:9]1.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[O-:58][C:59]([CH3:60])=[O:61].[O-:62][C:63]([CH3:64])=[O:65].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[Pd+2:57].[n:30]1[cH:31][c:32]([B:36]([OH:37])[OH:38])[cH:33][cH:34][cH:35]1>>[CH2:1]1[O:2][c:3]2[cH:4][c:5]([CH:10]3[N:11]([c:23]4[n:24][cH:25][c:26](-[c:32]5[cH:31][n:30][cH:35][cH:34][cH:33]5)[cH:27][n:28]4)[CH2:12][CH2:13][c:14]4[c:15]5[cH:16][cH:17][cH:18][cH:19][c:20]5[nH:21][c:22]43)[cH:6][cH:7][c:8]2[O:9]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343783-Pyridinylboronic acidHCID 226403241-(3,4-Methylenedioxyphenyl)-2-(5-bromopyrimidin-2-yl)-2,3,4,9-tetrahydro-1H-beta-carboline

Product 1

HCID 226403091-(3,4-Methylenedioxyphenyl)-2-[5-(3-pyridinyl)-pyrimidin-2-yl)-2,3,4,9-tetrahydro-1H-beta-carboline

Sources & evidence

ORD record
ord-6fb53586b0484e9290298997ff0e7b26
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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