Bicarbonate Ion → HCID 59402330, compound

HRID 684117

Reaction equation

HRID 684117 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:45](=[O:46])([OH:47])[O-:48].[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[CH3:27][C:28]1([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33][B:34]([c:35]2[cH:36][n:37][n:38]([CH2:40][C:41](=[O:42])[NH2:43])[cH:39]2)[O:44]1.[CH3:57][OH:58].[Na+:49].[OH2:56].[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:36][n:37][n:38]([CH2:40][C:41](=[O:42])[NH2:43])[cH:39]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 569657342-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetamideHCID 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 59402330HCID 59402330, compound

Sources & evidence

ORD record
ord-036ce2516b2f4452bcffd8a83d85c088
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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