Water → 6-(6-{1-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-1H-pyrazol-4-yl}-[1,2,3]triazolo[4,5-b]pyrazin-1-ylmethyl)-quinoline

HRID 2128206Notes

Reaction equation

HRID 2128206 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]2[c:6]([n:7]1)[n:8]([CH2:11][c:12]1[cH:13][c:14]3[cH:15][cH:16][cH:17][n:18][c:19]3[cH:20][cH:21]1)[n:9][n:10]2.[C:45](=[O:46])([O-:47])[O-:48].[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[Cs+:49].[Cs+:50].[O:22]1[CH:23]([O:28][CH2:29][CH2:30][n:31]2[n:32][cH:33][c:34]([B:36]3[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]3)[cH:35]2)[CH2:24][CH2:25][CH2:26][CH2:27]1.[OH2:57].[Pd:58]>>[c:2]1(-[c:34]2[cH:33][n:32][n:31]([CH2:30][CH2:29][O:28][CH:23]3[O:22][CH2:27][CH2:26][CH2:25][CH2:24]3)[cH:35]2)[cH:3][n:4][c:5]2[c:6]([n:7]1)[n:8]([CH2:11][c:12]1[cH:13][c:14]3[cH:15][cH:16][cH:17][n:18][c:19]3[cH:20][cH:21]1)[n:9][n:10]2

Participants

8

Reactant 7

HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 23938PalladiumHCID 104967Cesium cation2×HCID 547756086-((6-bromo-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl)methyl)quinolineHCID 593418191-[2-(oxan-2-yloxy)ethyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Product 1

HCID 593417856-(6-{1-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-1H-pyrazol-4-yl}-[1,2,3]triazolo[4,5-b]pyrazin-1-ylmethyl)-quinoline

Sources & evidence

ORD record
ord-70a79f73f953438ab2d395f9476667a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…