Water → 5-(2,4-dimethoxybenzyl)-7-(2-methoxy-4-methylpyridin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[4,3-c]quinolin-4(5H)-one

HRID 205441Notes

Reaction equation

HRID 205441 reaction equation
[Br:41][c:42]1[c:43]([O:49][CH3:50])[n:44][cH:45][cH:46][c:47]1[CH3:48].[C:51](=[O:52])([O-:53])[O-:54].[CH2:58]1[O:59][CH2:60][CH2:61][O:62][CH2:63]1.[CH3:1][O:2][c:3]1[c:4]([CH2:5][n:6]2[c:7](=[O:34])[c:8]3[c:9]([c:10]4[cH:11][cH:12][c:13]([B:16]5[O:17][C:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24]5)[cH:14][c:15]24)[n:25]([CH:28]2[CH2:29][CH2:30][O:31][CH2:32][CH2:33]2)[n:26][cH:27]3)[cH:35][cH:36][c:37]([O:39][CH3:40])[cH:38]1.[Cs+:55].[Cs+:56].[OH2:57].[cH:64]1[cH:65][cH:66][c:67]([P:68]([Pd:69]([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([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)([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([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)[P:108]([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([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)[cH:139][cH:140]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][n:6]2[c:7](=[O:34])[c:8]3[c:9]([c:10]4[cH:11][cH:12][c:13](-[c:42]5[c:43]([O:49][CH3:50])[n:44][cH:45][cH:46][c:47]5[CH3:48])[cH:14][c:15]24)[n:25]([CH:28]2[CH2:29][CH2:30][O:31][CH2:32][CH2:33]2)[n:26][cH:27]3)[cH:35][cH:36][c:37]([O:39][CH3:40])[cH:38]1

Participants

8

Reactant 7

HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 219528033-Bromo-2-methoxy-4-methylpyridineHCID 866863605-(2,4-dimethoxybenzyl)-1-(tetrahydro-2H-pyran-4-yl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[4,3-c]quinolin-4(5H)-oneHCID 178420554HCID 178420554, compound

Product 1

HCID 866863665-(2,4-dimethoxybenzyl)-7-(2-methoxy-4-methylpyridin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[4,3-c]quinolin-4(5H)-one

Sources & evidence

ORD record
ord-262aca5e72e74692be58ce78a40399ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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