Potassium Cation → 4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {3-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-phenyl}-methyl-amide

HRID 2146181Notes

Reaction equation

HRID 2146181 reaction equation
[Br:1][c:2]1[cH:3][c:4]([N:8]([C:9](=[O:10])[N:11]2[CH2:12][CH2:13][c:14]3[c:15]2[n:16][c:17]([N:45]2[CH2:46][CH2:47][O:48][CH2:49][CH2:50]2)[n:18][c:19]3-[c:20]2[cH:21][n:22][c:23]([N:26]([CH2:27][c:28]3[cH:29][cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]3)[CH2:36][c:37]3[cH:38][cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]3)[n:24][cH:25]2)[CH3:51])[cH:5][cH:6][cH:7]1.[CH:107](=[CH:108][C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)=[O:118])[c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1.[CH:71](=[CH:72][C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)=[O:82])[c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[CH:89](=[CH:90][C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)=[O:100])[c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[K+:57].[K+:58].[K+:59].[N:60]1([CH2:66][CH2:67][OH:68])[CH2:61][CH2:62][NH:63][CH2:64][CH2:65]1.[O:125]=[CH:126][N:127]([CH3:128])[CH3:129].[P:52]([O-:53])([O-:54])([O-:55])=[O:56].[Pd:69].[Pd:70]>>[c:2]1([N:63]2[CH2:62][CH2:61][N:60]([CH2:66][CH2:67][OH:68])[CH2:65][CH2:64]2)[cH:3][c:4]([N:8]([C:9](=[O:10])[N:11]2[CH2:12][CH2:13][c:14]3[c:15]2[n:16][c:17]([N:45]2[CH2:46][CH2:47][O:48][CH2:49][CH2:50]2)[n:18][c:19]3-[c:20]2[cH:21][n:22][c:23]([N:26]([CH2:27][c:28]3[cH:29][cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]3)[CH2:36][c:37]3[cH:38][cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]3)[n:24][cH:25]2)[CH3:51])[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 6228DimethylformamideHCID 76771-(2-Hydroxyethyl)piperazineHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 592449624-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid (3-bromo-phenyl)-methyl-amide

Product 1

HCID 673856414-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {3-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-phenyl}-methyl-amide

Sources & evidence

ORD record
ord-fd4db4db3c2e47979eff484f1e2631c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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