Dimethylformamide → 1,1-Dimethylethyl 4-[(3'-{[({4-[({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino) carbonyl]phenyl}carbonyl)amino]methyl}-3-biphenylyl)methyl]-1-piperazinecarboxylate
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][c:26]([C:27](=[O:28])[OH: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.[NH2:34][CH2:35][c:36]1[cH:37][c:38](-[c:42]2[cH:43][c:44]([CH2:48][N:49]3[CH2:50][CH2:51][N:52]([C:55](=[O:56])[O:57][C:58]([CH3:59])([CH3:60])[CH3:61])[CH2:53][CH2:54]3)[cH:45][cH:46][cH:47]2)[cH:39][cH:40][cH:41]1.[O:86]=[CH:87][N:88]([CH3:89])[CH3:90].[P-:62]([F:63])([F:64])([F:65])([F:66])([F:67])[F:68].[n:69]1([O:70][C:71]([N:72]([CH3:73])[CH3:74])=[N+:75]([CH3:76])[CH3:77])[c:78]2[cH:79][cH:80][cH:81][cH:82][c:83]2[n:84][n:85]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][c:26]([C:27](=[O:28])[NH:34][CH2:35][c:36]3[cH:37][c:38](-[c:42]4[cH:43][c:44]([CH2:48][N:49]5[CH2:50][CH2:51][N:52]([C:55](=[O:56])[O:57][C:58]([CH3:59])([CH3:60])[CH3:61])[CH2:53][CH2:54]5)[cH:45][cH:46][cH:47]4)[cH:39][cH:40][cH:41]3)[cH:30][cH:31]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1Participants
6
Reactant 5
HCID 6228Dimethylformamide
HCID 9886Hexafluorophosphate
HCID 130500O-benzotriazol-1-yl-tetramethyluronium
HCID 577367131,1-Dimethylethyl 4-{[3'-(aminomethyl)-3-biphenylyl]methyl}-1-piperazinecarboxylate
HCID 578133384-[({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)carbonyl]benzoic acidProduct 1
Sources & evidence
- ORD record
- ord-94a73c9713a844a3afa760be1d95d8f7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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