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

HRID 306140Notes

Reaction equation

HRID 306140 reaction equation
[Br:30][c:31]1[cH:32][c:33]([CH2:38][NH2:39])[cH:34][cH:35][c:36]1[F:37].[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.[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[Cl:71][CH2:72][Cl:73].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]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:39][CH2:38][c:33]1[cH:32][c:31]([Br:30])[c:36]([F:37])[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

7

Reactant 6

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 2724902(3-Bromo-4-fluorophenyl)methanamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 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 57819907N-[(3-bromo-4-fluorophenyl)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-02abd1b4dbee40fc8ef6f7957d523897
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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