Water → 3-[3-(4-Methyl-piperazin-1-yl)-cyclobutyl]-1-(2-phenyl-4-trifluoromethyl-quinolin-7-yl)-imidazo[1,5-a]pyrazin-8-ylamine

HRID 101209Notes

Reaction equation

HRID 101209 reaction equation
[C:52](=[O:53])([O-:54])[O-:55].[CH3:58][O:59][CH2:60][CH2:61][O:62][CH3:63].[Cs+:56].[Cs+:57].[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.[OH2:141].[c:23]1(-[c:29]2[n:30][c:31]3[cH:32][c:33]([B:43]4[O:44][C:45]([CH3:46])([CH3:47])[C:48]([CH3:49])([CH3:50])[O:51]4)[cH:34][cH:35][c:36]3[c:37]([C:39]([F:40])([F:41])[F:42])[cH:38]2)[cH:24][cH:25][cH:26][cH:27][cH:28]1.[cH:64]1[cH:65][cH:66][c:67]([P:68]([Pd:69]([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[P:108]([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)([c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[cH:139][cH:140]1>>[c:2]1(-[c:33]2[cH:32][c:31]3[n:30][c:29](-[c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[cH:38][c:37]([C:39]([F:40])([F:41])[F:42])[c:36]3[cH:35][cH:34]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]2

Participants

8

Reactant 7

HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 536290872-Phenyl-7-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-4-trifluoromethyl-quinolineHCID 576810251-Iodo-3-[3-(4-methyl-piperazin-1-yl)-cyclobutyl]-imidazo[1,5-a]pyrazin-8-ylamineHCID 178420554HCID 178420554, compound

Product 1

HCID 116784723-[3-(4-Methyl-piperazin-1-yl)-cyclobutyl]-1-(2-phenyl-4-trifluoromethyl-quinolin-7-yl)-imidazo[1,5-a]pyrazin-8-ylamine

Sources & evidence

ORD record
ord-99fa00da7bc142fb85ed44d9ac758da0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…