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

HRID 1205878Notes

Reaction equation

HRID 1205878 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([N:8]3[CH2:9][CH2:10][CH:11]([N:14]4[CH2:15][CH2:16][CH2:17][CH2:18]4)[CH2:12][CH2:13]3)[n:7]1)[N:19]([c:24]1[c:25]([F:31])[cH:26][cH:27][cH:28][c:29]1[F:30])[C:20](=[O:23])[NH:21][CH2:22]2.[F:38][c:39]1[cH:40][cH:41][c:42]([NH:45][C:46]([c:47]2[cH:48][c:49]([B:54]3[O:55][C:56]([CH3:57])([CH3:58])[C:59]([CH3:60])([CH3:61])[O:62]3)[c:50]([CH3:53])[cH:51][cH:52]2)=[O:63])[cH:43][cH:44]1.[K+:36].[K+:37].[O:64]1[CH2:65][CH2:66][O:67][CH2:68][CH2:69]1.[cH:70]1[cH:71][cH:72][c:73]([P:74]([Pd:75]([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[P:114]([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)([c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[c:139]2[cH:140][cH:141][cH:142][cH:143][cH:144]2)[cH:145][cH:146]1>>[c:2]1(-[c:49]2[cH:48][c:47]([C:46]([NH:45][c:42]3[cH:41][cH:40][c:39]([F:38])[cH:44][cH:43]3)=[O:63])[cH:52][cH:51][c:50]2[CH3:53])[c:3]2[c:4]([n:5][c:6]([N:8]3[CH2:9][CH2:10][CH:11]([N:14]4[CH2:15][CH2:16][CH2:17][CH2:18]4)[CH2:12][CH2:13]3)[n:7]1)[N:19]([c:24]1[c:25]([F:31])[cH:26][cH:27][cH:28][c:29]1[F:30])[C:20](=[O:23])[NH:21][CH2:22]2

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 119516925-chloro-1-(2,6-difluorophenyl)-7-[4-(1-pyrrolidinyl)-1-piperidinyl]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-oneHCID 57416195N-(4-fluorophenyl)-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideHCID 178420554HCID 178420554, compound

Product 1

HCID 575305123-{8-(2,6-difluorophenyl)-7-oxo-2-[4-(1-pyrrolidinyl)-1-piperidinyl]-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl}-N-(4-fluorophenyl)-4-methylbenzamide

Sources & evidence

ORD record
ord-3fba409e07d849b0b7b7df39dcefa1ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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