Bicarbonate Ion → HCID 59402348, compound
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:49](=[O:50])([OH:51])[O-:52].[CH2:54]1[O:55][CH2:56][CH2:57][O:58][CH2:59]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][CH2:41][N:42]3[CH2:43][CH2:44][O:45][CH2:46][CH2:47]3)[cH:39]2)[O:48]1.[CH3:60][OH:61].[Na+:53].[OH2:139].[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[P:106]([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138]1>>[c:2]1(-[c:35]2[cH:36][n:37][n:38]([CH2:40][CH2:41][N:42]3[CH2:43][CH2:44][O:45][CH2:46][CH2:47]3)[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]2Participants
9
Reactant 8
HCID 769Bicarbonate Ion
HCID 887Methanol
HCID 923Sodium ion
HCID 962Water
HCID 312751,4-Dioxane
HCID 177499241-(2-Morpholinoethyl)-1H-pyrazole-4-boronic acid pinacol ester
HCID 594023174-(7-bromo-3-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-a8a815dc34844b2eb2f4a2dc01f6d490
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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