Chloride → 6-[4-(4-Amino-pyridin-2-yl)-phenyl]-5-(4-chloro-phenyl)-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
Reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH:54]([c:55]1[cH:56][cH:57][cH:58][c:59]([CH:60]([CH3:61])[CH3:62])[c:63]1-[n+:64]1[cH:65][cH:66][n:67](-[c:68]2[c:69]([CH:70]([CH3:71])[CH3:72])[cH:73][cH:74][cH:75][c:76]2[CH:77]([CH3:78])[CH3:79])[cH:80]1)([CH3:81])[CH3:82].[Cl-:53].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9](-[c:24]3[cH:25][cH:26][c:27]([B:30]4[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]4)[cH:28][cH:29]3)[n:10][c:11]3[c:12]([c:13]2=[O:14])[cH:15][n:16][n:17]3-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:6][cH:7]1.[Cs+:51].[Cs+:52].[NH2:39][c:40]1[cH:41][c:42]([Cl:46])[n:43][cH:44][cH:45]1.[O:103]=[C:104]([CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1)[CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1.[O:121]=[C:122]([CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1)[CH:131]=[CH:132][c:133]1[cH:134][cH:135][cH:136][cH:137][cH:138]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[Pd:83].[Pd:84]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9](-[c:24]3[cH:25][cH:26][c:27](-[c:42]4[cH:41][c:40]([NH2:39])[cH:45][cH:44][n:43]4)[cH:28][cH:29]3)[n:10][c:11]3[c:12]([c:13]2=[O:14])[cH:15][n:16][n:17]3-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:6][cH:7]1Participants
9
Reactant 8
HCID 312Chloride
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 844322-Chloropyridin-4-amine
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 27349141,3-Bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium
HCID 578979725-(4-Chloro-phenyl)-1-phenyl-6-[4-(4,4,5,5-tetramethyl [1,3,2]dioxaborolan-2-yl)-phenyl]-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-oneProduct 1
Sources & evidence
- ORD record
- ord-bacaaa4990ae41f794e04088abde6470
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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