Bicarbonate Ion → HCID 59402329, compound

HRID 677266

Reaction equation

HRID 677266 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:44](=[O:45])([OH:46])[O-:47].[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[CH3:55][OH:56].[F:27][CH2:28][CH2:29][n:30]1[n:31][cH:32][c:33]([B:35]2[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]2)[cH:34]1.[Na+:48].[OH2:134].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[c:2]1(-[c:33]2[cH:32][n:31][n:30]([CH2:29][CH2:28][F:27])[cH:34]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 594022971-(2-fluoroethyl)-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 59402329HCID 59402329, compound

Sources & evidence

ORD record
ord-da35eb58a04949f0871b624d65b97c89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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