Dimethylformamide → N-{3-[7-(3-dimethylamino-phenylamino)-1-methyl-2-oxo-1,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methyl-phenyl}-3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-benzamide
Reaction equation
[CH3:31][c:32]1[n:33][cH:34][n:35](-[c:37]2[cH:38][c:39]([C:40](=[O:41])[OH:42])[cH:43][c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]2)[cH:36]1.[CH3:88][CH2:89][O:90][C:91]([CH3:92])=[O:93].[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH3:30])[c:6]([N:8]2[C:9](=[O:29])[N:10]([CH3:28])[c:11]3[n:12][c:13]([NH:18][c:19]4[cH:20][c:21]([N:25]([CH3:26])[CH3:27])[cH:22][cH:23][cH:24]4)[n:14][cH:15][c:16]3[CH2:17]2)[cH:7]1.[O:83]=[CH:84][N:85]([CH3:86])[CH3:87].[P-:59]([F:60])([F:61])([F:62])([F:63])([F:64])[F:65].[n:66]1([O:67][C:68]([N:69]([CH3:70])[CH3:71])=[N+:72]([CH3:73])[CH3:74])[c:75]2[n:76][cH:77][cH:78][cH:79][c:80]2[n:81][n:82]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH3:30])[c:6]([N:8]2[C:9](=[O:29])[N:10]([CH3:28])[c:11]3[n:12][c:13]([NH:18][c:19]4[cH:20][c:21]([N:25]([CH3:26])[CH3:27])[cH:22][cH:23][cH:24]4)[n:14][cH:15][c:16]3[CH2:17]2)[cH:7]1)[C:40]([c:39]1[cH:38][c:37](-[n:35]2[cH:34][n:33][c:32]([CH3:31])[cH:36]2)[cH:45][c:44]([C:46]([F:47])([F:48])[F:49])[cH:43]1)=[O:41]Participants
8
Reactant 7
HCID 6228Dimethylformamide
HCID 8857Ethyl Acetate
HCID 9886Hexafluorophosphate
HCID 81531Diisopropylethylamine
HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 469002413-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid
HCID 685247583-(5-amino-2-methyl-phenyl)-7-(3-dimethylamino-phenylamino)-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-oneProduct 1
Sources & evidence
- ORD record
- ord-6a04a30e666c4242a89686c225f7dadf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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