Sodium ion → (5-Bromo-imidazo[1,2-a]pyrazin-8-yl)-[4-(2-methyl-2H-tetrazol-5-yl)-phenyl]-amine

HRID 2150402Notes

Reaction equation

HRID 2150402 reaction equation
[Br:33][c:34]1[cH:35][n:36][c:37]([Br:43])[c:38]2[n:39]1[cH:40][cH:41][n:42]2.[CH3:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[CH3:44][n:45]1[n:46][c:47](-[c:50]2[cH:51][cH:52][c:53]([NH2:56])[cH:54][cH:55]2)[n:48][n:49]1.[CH3:57][C:58]([CH3:59])([O-:60])[CH3:61].[Na+:62].[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[OH:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[cH:11][cH:12][c:13]([NH:14][c:15]3[c:16]4[n:17]([cH:18][cH:19][n:20]4)[c:21](-[c:22]4[cH:23][n:24][nH:25][cH:26]4)[cH:27][n:28]3)[cH:29][cH:30]2)[cH:31][cH:32]1.[Pd:63].[Pd:64]>>[Br:33][c:34]1[cH:35][n:36][c:37]([NH:56][c:53]2[cH:52][cH:51][c:50](-[c:47]3[n:46][n:45]([CH3:44])[n:49][n:48]3)[cH:55][cH:54]2)[c:38]2[n:39]1[cH:40][cH:41][n:42]2

Participants

9

Reactant 8

HCID 923Sodium ionHCID 1140TolueneHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 11328464-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)anilineHCID 45749132-Methylpropan-2-olateHCID 24857547N-(4-Hydroxybenzyl)-4-[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-ylamino]benzamideHCID 534859495,8-Dibromoimidazo[1,2-a]pyrazine

Product 1

HCID 59023119(5-Bromo-imidazo[1,2-a]pyrazin-8-yl)-[4-(2-methyl-2H-tetrazol-5-yl)-phenyl]-amine

Sources & evidence

ORD record
ord-fb65f28707274d94bfd2217e5ab1bf8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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