Sodium ion → 4-(5-cyanothiazol-2-ylamino)-N,N-dicyclopropyl-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide

HRID 1237803Notes

Reaction equation

HRID 1237803 reaction equation
[CH3:142][O:143][CH2:144][CH2:145][O:146][CH3:147].[CH3:80][C:81]([CH3:82])([O-:83])[CH3:84].[Cl:26][c:27]1[s:28][c:29]([C:32]#[N:33])[cH:30][n:31]1.[NH2:1][c:2]1[c:3]2[c:4]([c:5]3[c:6]([n:7]1)[n:8]([CH2:20][CH3:21])[c:9]([C:11](=[O:12])[N:13]([CH:14]1[CH2:15][CH2:16]1)[CH:17]1[CH2:18][CH2:19]1)[cH:10]3)[n:22]([CH3:25])[cH:23][n:24]2.[Na+:85].[O:106]=[C:107]([CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1)[CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[O:124]=[C:125]([CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1)[CH:134]=[CH:135][c:136]1[cH:137][cH:138][cH:139][cH:140][cH:141]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Pd:86].[Pd:87].[cH:34]1[cH:35][cH:36][c:37]([P:38]([c:39]2[cH:40][cH:41][c:42]3[c:43]([cH:44][cH:45][cH:46][cH:47]3)[c:48]2-[c:49]2[c:50]3[c:51]([cH:52][cH:53][cH:54][cH:55]3)[cH:56][cH:57][c:58]2[P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79]1>>[NH:1]([c:2]1[c:3]2[c:4]([c:5]3[c:6]([n:7]1)[n:8]([CH2:20][CH3:21])[c:9]([C:11](=[O:12])[N:13]([CH:14]1[CH2:15][CH2:16]1)[CH:17]1[CH2:18][CH2:19]1)[cH:10]3)[n:22]([CH3:25])[cH:23][n:24]2)[c:27]1[s:28][c:29]([C:32]#[N:33])[cH:30][n:31]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 80711,2-DimethoxyethaneHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 634876Binap, (A+-)-HCID 14852222-Chlorothiazole-5-carbonitrileHCID 45749132-Methylpropan-2-olateHCID 581805034-amino-N,N-dicyclopropyl-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide

Product 1

HCID 581805324-(5-cyanothiazol-2-ylamino)-N,N-dicyclopropyl-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide

Sources & evidence

ORD record
ord-c0c7e383b1494844b66ab1b6c51d7885
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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