Dichloromethane → N-{[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-N'-({3'-[(1-methyl-4-piperidinyl)methyl]-3-biphenylyl}methyl)propanediamide

HRID 1122636Notes

Reaction equation

HRID 1122636 reaction equation
[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:27][CH3:28])[c:10]([CH2:19][NH:20][C:21]([CH2:22][C:23](=[O:24])[OH:25])=[O:26])[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH3:29][N:30]1[CH2:31][CH2:32][CH:33]([CH2:36][c:37]2[cH:38][c:39](-[c:43]3[cH:44][c:45]([CH2:49][NH2:50])[cH:46][cH:47][cH:48]3)[cH:40][cH:41][cH:42]2)[CH2:34][CH2:35]1.[CH3:75][CH2:76][N:77]([CH2:78][CH3:79])[CH2:80][CH3:81].[CH3:82][CH2:83][O:84][C:85]([CH3:86])=[O:87].[Cl:88][CH2:89][Cl:90].[P-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57].[n:58]1([O:59][C:60]([N:61]([CH3:62])[CH3:63])=[N+:64]([CH3:65])[CH3:66])[c:67]2[n:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:27][CH3:28])[c:10]([CH2:19][NH:20][C:21]([CH2:22][C:23](=[O:24])[NH:50][CH2:49][c:45]1[cH:44][c:43](-[c:39]3[cH:38][c:37]([CH2:36][CH:33]4[CH2:32][CH2:31][N:30]([CH3:29])[CH2:35][CH2:34]4)[cH:42][cH:41][cH:40]3)[cH:48][cH:47][cH:46]1)=[O:26])[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1

Participants

8

Reactant 7

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57813254({3'-[(1-Methyl-4-piperidinyl)methyl]-3-biphenylyl}methyl)amineHCID 578198663-({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)-3-oxopropanoic acid

Product 1

HCID 44242761N-{[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-N'-({3'-[(1-methyl-4-piperidinyl)methyl]-3-biphenylyl}methyl)propanediamide

Sources & evidence

ORD record
ord-2962a9ac583c4609b17f9efca8a3df97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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