Methanol → N-{[3-bromo-4-(methyloxy)phenyl]methyl}-N'-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}butanediamide

HRID 687343Notes

Reaction equation

HRID 687343 reaction equation
[Br:30][c:31]1[cH:32][c:33]([CH2:39][NH2:40])[cH:34][cH:35][c:36]1[O:37][CH3:38].[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:28][CH3:29])[c:10]([CH2:19][NH:20][C:21]([CH2:22][CH2:23][C:24](=[O:25])[OH:26])=[O:27])[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[CH3:75][OH:76].[Cl:72][CH2:73][Cl:74].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:28][CH3:29])[c:10]([CH2:19][NH:20][C:21]([CH2:22][CH2:23][C:24](=[O:26])[NH:40][CH2:39][c:33]1[cH:32][c:31]([Br:30])[c:36]([O:37][CH3:38])[cH:35][cH:34]1)=[O:27])[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1

Participants

8

Reactant 7

HCID 887MethanolHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 22026276(3-Bromo-4-methoxyphenyl)methanamineHCID 578198724-({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)-4-oxobutanoic acid

Product 1

HCID 57819893N-{[3-bromo-4-(methyloxy)phenyl]methyl}-N'-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}butanediamide

Sources & evidence

ORD record
ord-45066361c142453c894a8a66596a75f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…