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

HRID 2149418Notes

Reaction equation

HRID 2149418 reaction equation
[Br:58][c:59]1[cH:60][c:61]([CH2:66][NH2:67])[cH:62][cH:63][c:64]1[CH3:65].[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:32][CH3:33])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][cH:25][cH:26][c:27]([C:29](=[O:30])[OH:31])[n:28]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH3:71][CH2:72][O:73][C:74]([CH3:75])=[O:76].[Cl:68][CH2:69][Cl:70].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:32][CH3:33])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][cH:25][cH:26][c:27]([C:29](=[O:30])[NH:67][CH2:66][c:61]3[cH:60][c:59]([Br:58])[c:64]([CH3:65])[cH:63][cH:62]3)[n:28]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 53414434(3-Bromo-4-methylphenyl)methanamineHCID 578193746-[({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)carbonyl]-2-pyridinecarboxylic acid

Product 1

HCID 57819372N-[(3-bromo-4-methylphenyl)methyl]-N'-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-2,6-pyridinedicarboxamide

Sources & evidence

ORD record
ord-d8a43ff9017b4eb29d57cea7a4f39354
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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