Acetic Acid → N1-(4-{4-amino-1-[4-{([3-(1H-1-imidazolyl)propyl]amino}methyl)phenyl]-1H-pyrazolo [3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-2-fluoro-4-(trifluoromethyl)benzamide
Reaction equation
[C:50]([O:51][BH-:52]([O:53][C:54](=[O:55])[CH3:56])[O:57][C:58](=[O:59])[CH3:60])(=[O:61])[CH3:62].[CH3:70][C:71](=[O:72])[OH:73].[Cl:66][CH:67]([Cl:68])[CH3:69].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8](-[c:33]1[cH:34][cH:35][c:36]([CH:39]=[O:40])[cH:37][cH:38]1)[n:9][c:10]2-[c:11]1[cH:12][c:13]([O:31][CH3:32])[c:14]([NH:17][C:18]([c:19]2[c:20]([F:29])[cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)=[O:30])[cH:15][cH:16]1.[NH2:41][CH2:42][CH2:43][CH2:44][n:45]1[cH:46][n:47][cH:48][cH:49]1.[Na+:63].[Na+:65].[OH-:64]>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8](-[c:33]1[cH:34][cH:35][c:36]([CH2:39][NH:41][CH2:42][CH2:43][CH2:44][n:45]3[cH:46][n:47][cH:48][cH:49]3)[cH:37][cH:38]1)[n:9][c:10]2-[c:11]1[cH:12][c:13]([O:31][CH3:32])[c:14]([NH:17][C:18]([c:19]2[c:20]([F:29])[cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)=[O:30])[cH:15][cH:16]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-045df765c07248c3a81ac2bbc9ae2ed2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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