Hydrochloric Acid → N-{[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-3-{[({3'-[(1-methyl-4-piperidinyl)methyl]-3-biphenylyl}methyl)amino]sulfonyl}benzamide
Reaction equation
[CH2:82]1[O:83][CH2:84][CH2:85][CH2:86]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][S:23](=[O:24])(=[O:25])[c:26]4[cH:27][c:28]([C:29](=[O:30])[OH:31])[cH:32][cH:33][cH:34]4)[cH:18][cH:19][cH:20]3)[cH:12][cH:13][cH:14]2)[CH2:6][CH2:7]1.[ClH:35].[NH2:36][CH2:37][c:38]1[c:39]([NH:51][CH:52]2[CH2:53][CH2:54][O:55][CH2:56][CH2:57]2)[c:40]2[c:41]([n:42][c:43]1[CH2:44][CH3:45])[n:46]([CH2:49][CH3:50])[n:47][cH:48]2.[P-:58]([F:59])([F:60])([F:61])([F:62])([F:63])[F:64].[n:65]1([O:66][C:67]([N:68]([CH3:69])[CH3:70])=[N+:71]([CH3:72])[CH3:73])[c:74]2[cH:75][cH:76][cH:77][cH:78][c:79]2[n:80][n:81]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][S:23](=[O:24])(=[O:25])[c:26]4[cH:27][c:28]([C:29](=[O:30])[NH:36][CH2:37][c:38]5[c:39]([NH:51][CH:52]6[CH2:53][CH2:54][O:55][CH2:56][CH2:57]6)[c:40]6[c:41]([n:42][c:43]5[CH2:44][CH3:45])[n:46]([CH2:49][CH3:50])[n:47][cH:48]6)[cH:32][cH:33][cH:34]4)[cH:18][cH:19][cH:20]3)[cH:12][cH:13][cH:14]2)[CH2:6][CH2:7]1Participants
7
Reactant 6
HCID 313Hydrochloric Acid
HCID 8028Tetrahydrofuran
HCID 9886Hexafluorophosphate
HCID 130500O-benzotriazol-1-yl-tetramethyluronium
HCID 578134563-{[({3'-[(1-Methyl-4-piperidinyl)methyl]-3-biphenylyl}methyl)amino]sulfonyl}benzoic Acid
HCID 596832145-(Aminomethyl)-1,6-diethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amineProduct 1
Sources & evidence
- ORD record
- ord-1349594aaa9c4bcfa8f06d07f0db349c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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