Dimethyl Sulfoxide → 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)-2,6-pyridinedicarboxamide

HRID 312161Notes

Reaction equation

HRID 312161 reaction equation
[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.[CH3:34][N:35]1[CH2:36][CH2:37][CH:38]([CH2:41][c:42]2[cH:43][c:44](-[c:48]3[cH:49][c:50]([CH2:54][NH2:55])[cH:51][cH:52][cH:53]3)[cH:45][cH:46][cH:47]2)[CH2:39][CH2:40]1.[CH3:80][CH2:81][N:82]([CH2:83][CH3:84])[CH2:85][CH3:86].[CH3:87][S:88]([CH3:89])=[O:90].[Cl:91][CH2:92][Cl:93].[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>>[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:31])[NH:55][CH2:54][c:50]3[cH:49][c:48](-[c:44]4[cH:43][c:42]([CH2:41][CH:38]5[CH2:37][CH2:36][N:35]([CH3:34])[CH2:40][CH2:39]5)[cH:47][cH:46][cH:45]4)[cH:53][cH:52][cH:51]3)[n:28]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 57813254({3'-[(1-Methyl-4-piperidinyl)methyl]-3-biphenylyl}methyl)amineHCID 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 44193617N-{[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)-2,6-pyridinedicarboxamide

Sources & evidence

ORD record
ord-513a2ba65c4d438a981d05ee01dc3a60
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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