Water → 7-(2-methoxy-4,6-dimethylpyridin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[4,3-c]quinolin-4(5H)-one

HRID 1124056Notes

Reaction equation

HRID 1124056 reaction equation
[C:52](=[O:53])([O-:54])[O-:55].[CH2:130]1[O:131][CH2:132][CH2:133][O:134][CH2:135]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[cH:8][cH:9][c:10]1[CH2:11][n:12]1[c:13]2[cH:14][c:15]([B:16]3[O:17][C:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24]3)[cH:25][cH:26][c:27]2[c:28]2[n:29]([CH:30]3[CH2:31][CH2:32][O:33][CH2:34][CH2:35]3)[n:36][cH:37][c:38]2[c:39]1=[O:40].[CH3:58][O:59][c:60]1[cH:61][c:62]([O:93][CH3:94])[cH:95][cH:96][c:97]1[CH2:98][n:63]1[c:64](=[O:92])[c:65]2[c:66]([c:67]3[cH:68][cH:69][c:70](-[c:73]4[c:74]([O:81][CH3:82])[n:75][c:76]([CH3:80])[cH:77][c:78]4[CH3:79])[cH:71][c:72]13)[n:83]([CH:86]1[CH2:87][CH2:88][O:89][CH2:90][CH2:91]1)[n:84][cH:85]2.[CH3:99][O:100][c:101]1[cH:102][c:103]([O:104][CH3:105])[cH:106][cH:107][c:108]1[CH2:109][n:110]1[c:111]2[cH:112][cH:113][cH:114][cH:115][c:116]2[c:117]2[n:118]([CH:119]3[CH2:120][CH2:121][O:122][CH2:123][CH2:124]3)[n:125][cH:126][c:127]2[c:128]1=[O:129].[Cl:41][c:42]1[c:43]([O:44][CH3:45])[n:46][c:47]([CH3:48])[cH:49][c:50]1[CH3:51].[Cs+:56].[Cs+:57].[F:136][C:137]([F:138])([F:139])[C:140]([OH:141])=[O:142].[OH2:143]>>[nH:63]1[c:64](=[O:92])[c:65]2[c:66]([c:67]3[cH:68][cH:69][c:70](-[c:73]4[c:74]([O:81][CH3:82])[n:75][c:76]([CH3:80])[cH:77][c:78]4[CH3:79])[cH:71][c:72]13)[n:83]([CH:86]1[CH2:87][CH2:88][O:89][CH2:90][CH2:91]1)[n:84][cH:85]2

Participants

10

Reactant 9

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 866863293-Chloro-2-methoxy-4,6-dimethylpyridineHCID 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 866863615-(2,4-dimethoxybenzyl)-7-(2-methoxy-4,6-dimethylpyridin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[4,3-c]quinolin-4(5H)-oneHCID 866863625-(2,4-dimethoxybenzyl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[4,3-c]quinolin-4(5H)-one

Product 1

HCID 1362539837-(2-methoxy-4,6-dimethylpyridin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[4,3-c]quinolin-4(5H)-one

Sources & evidence

ORD record
ord-b4187545531a4563984ff5b10fbff8b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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