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)-1,3-benzenedicarboxamide

HRID 2337411Notes

Reaction equation

HRID 2337411 reaction equation
[CH2:23]([CH3:24])[n:25]1[n:26][cH:27][c:28]2[c:29]1[n:30][c:31]([CH2:54][CH3:55])[c:32]([CH2:41][NH:42][C:43](=[O:44])[c:45]1[cH:46][c:47]([C:48](=[O:49])[OH:50])[cH:51][cH:52][cH:53]1)[c:33]2[NH:34][CH:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([CH2:8][c:9]2[cH:10][c:11](-[c:15]3[cH:16][c:17]([CH2:21][NH2:22])[cH:18][cH:19][cH:20]3)[cH:12][cH:13][cH:14]2)[CH2:6][CH2:7]1.[Cl:80][CH2:81][Cl:82].[P-:56]([F:57])([F:58])([F:59])([F:60])([F:61])[F:62].[n:63]1([O:64][C:65]([N:66]([CH3:67])[CH3:68])=[N+:69]([CH3:70])[CH3:71])[c:72]2[cH:73][cH:74][cH:75][cH:76][c:77]2[n:78][n:79]1>>[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([CH2:8][c:9]2[cH:10][c:11](-[c:15]3[cH:16][c:17]([CH2:21][NH:22][C:48]([c:47]4[cH:46][c:45]([C:43]([NH:42][CH2:41][c:32]5[c:31]([CH2:54][CH3:55])[n:30][c:29]6[n:25]([CH2:23][CH3:24])[n:26][cH:27][c:28]6[c:33]5[NH:34][CH:35]5[CH2:36][CH2:37][O:38][CH2:39][CH2:40]5)=[O:44])[cH:53][cH:52][cH:51]4)=[O:49])[cH:18][cH:19][cH:20]3)[cH:12][cH:13][cH:14]2)[CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 57813254({3'-[(1-Methyl-4-piperidinyl)methyl]-3-biphenylyl}methyl)amineHCID 578132773-[({[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)carbonyl]benzoic Acid

Product 1

HCID 57813386N-{[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)-1,3-benzenedicarboxamide

Sources & evidence

ORD record
ord-1869e6e3892d4cc2b4e8ee6f7ce25504
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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