Dimethylformamide → N-{[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-N'-{[6-fluoro-3'-(hydroxymethyl)-3-biphenylyl]methyl}-1,3-benzenedicarboxamide
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][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:84]([N:85]([CH:86]([CH3:87])[CH3:88])[CH2:89][CH3:90])([CH3:91])[CH3:92].[NH2:34][CH2:35][c:36]1[cH:37][cH:38][c:39]([F:50])[c:40](-[c:42]2[cH:43][c:44]([CH2:48][OH:49])[cH:45][cH:46][cH:47]2)[cH:41]1.[O:93]=[CH:94][N:95]([CH3:96])[CH3:97].[P-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57].[n:58]1([O:59][P+:60]([N:61]2[CH2:62][CH2:63][CH2:64][CH2:65]2)([N:66]2[CH2:67][CH2:68][CH2:69][CH2:70]2)[N:71]2[CH2:72][CH2:73][CH2:74][CH2:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][c:81]2[n:82][n:83]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:34][CH2:35][c:36]3[cH:37][cH:38][c:39]([F:50])[c:40](-[c:42]4[cH:43][c:44]([CH2:48][OH:49])[cH:45][cH:46][cH:47]4)[cH:41]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]1Participants
7
Reactant 6
HCID 6228Dimethylformamide
HCID 9886Hexafluorophosphate
HCID 81531Diisopropylethylamine
HCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphonium
HCID 578132773-[({[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)carbonyl]benzoic Acid
HCID 57813296[5'-(Aminomethyl)-2'-fluoro-3-biphenylyl]methanolProduct 1
Sources & evidence
- ORD record
- ord-ab7182ec616d41759793d73cc210e805
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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