Bicarbonate Ion → 4-(4-methylpiperazin-1-yl)-6-[3-methyl-7-[1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl]-3,4-dihydroisoquinolin-2(1H)-yl]pyrimidin-2-amine

HRID 1214234Notes

Reaction equation

HRID 1214234 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:10]([cH:11]1)[CH2:9][N:8]([c:12]1[n:13][c:14]([NH2:25])[n:15][c:16]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:17]1)[CH:7]([CH3:26])[CH2:6]2.[C:46](=[O:47])([OH:48])[O-:49].[CH2:51]1[O:52][CH2:53][CH2:54][O:55][CH2:56]1.[CH3:57][OH:58].[Na+:50].[O:27]1[CH2:28][CH:29]([n:32]2[n:33][cH:34][c:35]([B:37]3[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]3)[cH:36]2)[CH2:30][CH2:31]1.[OH2:136].[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([P:65]([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)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[c:2]1(-[c:35]2[cH:34][n:33][n:32]([CH:29]3[CH2:28][O:27][CH2:31][CH2:30]3)[cH:36]2)[cH:3][cH:4][c:5]2[c:10]([cH:11]1)[CH2:9][N:8]([c:12]1[n:13][c:14]([NH2:25])[n:15][c:16]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:17]1)[CH:7]([CH3:26])[CH2:6]2

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 312751,4-DioxaneHCID 592317121-(Tetrahydrofuran-3-YL)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-pyrazoleHCID 594023174-(7-bromo-3-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amineHCID 178420554HCID 178420554, compound

Product 1

HCID 467019784-(4-methylpiperazin-1-yl)-6-[3-methyl-7-[1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl]-3,4-dihydroisoquinolin-2(1H)-yl]pyrimidin-2-amine

Sources & evidence

ORD record
ord-b94d6f5b3bac4c57930e44f4f36a97b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…