Water → 1-(4-Methyl-2-phenyl-quinolin-7-yl)-3-[3-(4-methyl-piperazin-1-yl)-cyclobutyl]-imidazo[1,5-a]pyrazin-8-ylamine
Reaction equation
[C:49](=[O:50])([O-:51])[O-:52].[CH3:23][c:24]1[cH:25][c:26](-[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[n:27][c:28]2[cH:29][c:30]([B:34]3[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]3)[cH:31][cH:32][c:33]12.[CH3:55][O:56][CH2:57][CH2:58][O:59][CH3:60].[Cs+:53].[Cs+:54].[I:1][c:2]1[n:3][c:4]([CH:12]2[CH2:13][CH:14]([N:16]3[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]3)[CH2:15]2)[n:5]2[c:6]1[c:7]([NH2:11])[n:8][cH:9][cH:10]2.[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>>[c:2]1(-[c:30]2[cH:29][c:28]3[n:27][c:26](-[c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[cH:25][c:24]([CH3:23])[c:33]3[cH:32][cH:31]2)[n:3][c:4]([CH:12]2[CH2:13][CH:14]([N:16]3[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]3)[CH2:15]2)[n:5]2[c:6]1[c:7]([NH2:11])[n:8][cH:9][cH:10]2Participants
8
Reactant 7
HCID 962Water
HCID 80711,2-Dimethoxyethane
HCID 19660Carbonate Ion
HCID 104967Cesium cation2×
HCID 536290544-Methyl-2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
HCID 576810251-Iodo-3-[3-(4-methyl-piperazin-1-yl)-cyclobutyl]-imidazo[1,5-a]pyrazin-8-ylamine
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-22e8aaabd1784c3796489f5740cda958
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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