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

HRID 155528Notes

Reaction equation

HRID 155528 reaction equation
[Br:35][c:36]1[c:37]([F:44])[c:38]([CH2:42][NH2:43])[cH:39][cH:40][cH:41]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][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30][cH:31]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH:69]([N:70]([CH:71]([CH3:72])[CH3:73])[CH2:74][CH3:75])([CH3:76])[CH3:77].[Cl:78][CH2:79][Cl:80].[ClH:34].[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[cH:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]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][c:25]([C:26](=[O:27])[NH:43][CH2:42][c:38]3[c:37]([F:44])[c:36]([Br:35])[cH:41][cH:40][cH:39]3)[cH:29][cH:30][cH:31]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 313Hydrochloric AcidHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 12084140(3-Bromo-2-fluorophenyl)methanamineHCID 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 57813438N-[(3-Bromo-2-fluorophenyl)methyl]-N'-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-1,3-benzenedicarboxamide

Sources & evidence

ORD record
ord-0b367adba9cf4cb29ae09ec3d3cf2398
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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