Bicarbonate Ion → 7-Cyclobutyl-5-(8-fluoro-2-phenyl-quinolin-7-yl)-imidazo[5,1-f][1,2,4]triazin-4-ylamine
Reaction equation
[C:42](=[O:43])([O-:44])[O-:45].[C:50](=[O:51])([OH:52])[O-:53].[CH2:55]([CH2:56][O:57][CH3:58])[O:59][CH3:60].[CH:1]1([c:5]2[n:6][c:7]([I:15])[c:8]3[c:9]([NH2:14])[n:10][cH:11][n:12][n:13]23)[CH2:2][CH2:3][CH2:4]1.[Cs+:46].[Cs+:47].[F:16][c:17]1[c:18]([B:33]2[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[CH2:41]2)[cH:19][cH:20][c:21]2[cH:22][cH:23][c:24](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[n:25][c:26]12.[N:48]#[N:49].[Na+:54].[OH2:61].[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>>[CH:1]1([c:5]2[n:6][c:7](-[c:18]3[c:17]([F:16])[c:26]4[c:21]([cH:20][cH:19]3)[cH:22][cH:23][c:24](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[n:25]4)[c:8]3[c:9]([NH2:14])[n:10][cH:11][n:12][n:13]23)[CH2:2][CH2:3][CH2:4]1Participants
11
Reactant 10
HCID 769Bicarbonate Ion
HCID 923Sodium ion
HCID 947Nitrogen
HCID 962Water
HCID 80711,2-Dimethoxyethane
HCID 19660Carbonate Ion
HCID 104967Cesium cation2×
HCID 533286247-Cyclobutyl-5-iodo-imidazo[5,1-f][1,2,4]triazin-4-ylamine
HCID 688312888-Fluoro-2-phenyl-7-(4,4,5,5-tetramethyl-[2,3,2]dioxaborolan-2-yl)quinoline
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-4bc1cdf077454376b67328d5810d3819
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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