Sodium ion → A-420983
Reaction equation
[CH3:25][O:26][c:27]1[c:28]([NH:42][C:43](=[O:44])[c:45]2[n:46]([CH3:54])[c:47]3[cH:48][cH:49][cH:50][cH:51][c:52]3[cH:53]2)[cH:29][cH:30][c:31]([B:33]2[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]2)[cH:32]1.[CH3:61][O:62][CH2:63][CH2:64][O:65][CH3:66].[I:1][c:2]1[n:3][n:4]([CH:12]2[CH2:13][CH2:14][CH:15]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[Na+:55].[Na+:56].[O-:57][C:58](=[O:59])[O-:60].[OH2:67].[cH:68]1[cH:69][cH:70][c:71]([P:72]([Pd:73]([P:74]([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)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([P:93]([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)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[P:112]([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)[c:137]2[cH:138][cH:139][cH:140][cH:141][cH:142]2)[cH:143][cH:144]1>>[c:2]1(-[c:31]2[cH:30][cH:29][c:28]([NH:42][C:43](=[O:44])[c:45]3[n:46]([CH3:54])[c:47]4[cH:48][cH:49][cH:50][cH:51][c:52]4[cH:53]3)[c:27]([O:26][CH3:25])[cH:32]2)[n:3][n:4]([CH:12]2[CH2:13][CH2:14][CH:15]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12Participants
8
Reactant 7
HCID 923Sodium ion2×
HCID 962Water
HCID 80711,2-Dimethoxyethane
HCID 19660Carbonate Ion
HCID 208170473-iodo-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
HCID 22347095N-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1-methyl-1H-indole-2-carboxamide
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-9305709a02c947ff99d3178f0b205c5a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…