Ethanol → 4-tert-butyl-N-(2-methyl-3-{8-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-imidazo[1,2-b]pyridazin-6-yl}-phenyl)-benzamide

HRID 2135108Notes

Reaction equation

HRID 2135108 reaction equation
[C:26]([CH3:27])([CH3:28])([CH3:29])[c:30]1[cH:31][cH:32][c:33]([C:34](=[O:35])[NH:36][c:37]2[c:38]([CH3:52])[c:39]([B:43]3[O:44][C:45]([CH3:46])([CH3:47])[C:48]([CH3:49])([CH3:50])[O:51]3)[cH:40][cH:41][cH:42]2)[cH:53][cH:54]1.[C:55](=[O:56])([O-:57])[O-:58].[CH3:146][CH2:147][OH:148].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[Cl:1][c:2]1[cH:3][c:4]([NH:11][c:12]2[cH:13][cH:14][c:15]([C:18](=[O:19])[N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[cH:16][n:17]2)[c:5]2[n:6]([n:7]1)[cH:8][cH:9][n:10]2.[K+:59].[K+:60].[OH2:145].[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:39]2[c:38]([CH3:52])[c:37]([NH:36][C:34]([c:33]3[cH:32][cH:31][c:30]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:54][cH:53]3)=[O:35])[cH:42][cH:41][cH:40]2)[cH:3][c:4]([NH:11][c:12]2[cH:13][cH:14][c:15]([C:18](=[O:19])[N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[cH:16][n:17]2)[c:5]2[n:6]([n:7]1)[cH:8][cH:9][n:10]2

Participants

9

Reactant 8

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 57786785[6-(6-Chloro-imidazo[1,2-b]pyridazin-8-ylamino)-pyridin-3-yl]-morpholin-4-yl-methanoneHCID 587289934-(tert-Butyl)-N-(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamideHCID 178420554HCID 178420554, compound

Product 1

HCID 426439074-tert-butyl-N-(2-methyl-3-{8-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-imidazo[1,2-b]pyridazin-6-yl}-phenyl)-benzamide

Sources & evidence

ORD record
ord-588eb387b89b4c3287e80110f8b23c40
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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