Potassium Cation → 3-[2-(1,4'-bipiperidin-1'-yl)-8-(2,6-difluorophenyl)-7-oxo-5,6,7,8-tetrahydropyrimido [4,5-d]pyrimidin-4-yl]-N-(4-fluorophenyl)-4-methylbenzamide

HRID 1566881Notes

Reaction equation

HRID 1566881 reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[F:39][c:40]1[cH:41][cH:42][c:43]([NH:46][C:47]([c:48]2[cH:49][c:50]([B:55]3[O:56][C:57]([CH3:58])([CH3:59])[C:60]([CH3:61])([CH3:62])[O:63]3)[c:51]([CH3:54])[cH:52][cH:53]2)=[O:64])[cH:44][cH:45]1.[K+:37].[K+:38].[N:1]1([CH:7]2[CH2:8][CH2:9][N:10]([c:13]3[n:14][c:15]([Cl:32])[c:16]4[c:17]([n:18]3)[N:19]([c:24]3[c:25]([F:31])[cH:26][cH:27][cH:28][c:29]3[F:30])[C:20](=[O:23])[NH:21][CH2:22]4)[CH2:11][CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[O:65]1[CH2:66][CH2:67][O:68][CH2:69][CH2:70]1.[cH:71]1[cH:72][cH:73][c:74]([P:75]([Pd:76]([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[P:115]([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)([c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[c:140]2[cH:141][cH:142][cH:143][cH:144][cH:145]2)[cH:146][cH:147]1>>[N:1]1([CH:7]2[CH2:8][CH2:9][N:10]([c:13]3[n:14][c:15](-[c:50]4[cH:49][c:48]([C:47]([NH:46][c:43]5[cH:42][cH:41][c:40]([F:39])[cH:45][cH:44]5)=[O:64])[cH:53][cH:52][c:51]4[CH3:54])[c:16]4[c:17]([n:18]3)[N:19]([c:24]3[c:25]([F:31])[cH:26][cH:27][cH:28][c:29]3[F:30])[C:20](=[O:23])[NH:21][CH2:22]4)[CH2:11][CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 57416195N-(4-fluorophenyl)-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideHCID 575305197-(1,4'-bipiperidin-1'-yl)-5-chloro-1-(2,6-difluorophenyl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-oneHCID 178420554HCID 178420554, compound

Product 1

HCID 575305083-[2-(1,4'-bipiperidin-1'-yl)-8-(2,6-difluorophenyl)-7-oxo-5,6,7,8-tetrahydropyrimido [4,5-d]pyrimidin-4-yl]-N-(4-fluorophenyl)-4-methylbenzamide

Sources & evidence

ORD record
ord-9d9e1fe403b641ceb5033f1d222052a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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