Ethanol → 8-(1-Ethyl-propyl)-2,6-dimethyl-3-(1-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-imidazo[1,2-b]pyridazine

HRID 97470Notes

Reaction equation

HRID 97470 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[c:6]1[c:7]2[n:8]([n:9][c:10]([CH3:12])[cH:11]1)[c:13]([I:17])[c:14]([CH3:16])[n:15]2.[CH3:124][CH2:125][OH:126].[CH3:18][n:19]1[c:20]([B:28]2[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]2)[cH:21][c:22]2[c:23]1[n:24][cH:25][cH:26][cH:27]2.[Cl:44][CH2:45][Cl:46].[Na+:41].[Na+:42].[OH2:43].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[c:6]1[c:7]2[n:8]([n:9][c:10]([CH3:12])[cH:11]1)[c:13](-[c:20]1[n:19]([CH3:18])[c:23]3[c:22]([cH:21]1)[cH:27][cH:26][cH:25][n:24]3)[c:14]([CH3:16])[n:15]2

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 577526818-(1-Ethyl-propyl)-3-iodo-2,6-dimethyl-imidazo[1,2-b]pyridazineHCID 688578811-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-1H-pyrrolo[2,3-B]pyridineHCID 178420554HCID 178420554, compound

Product 1

HCID 577526918-(1-Ethyl-propyl)-2,6-dimethyl-3-(1-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-imidazo[1,2-b]pyridazine

Sources & evidence

ORD record
ord-355fd79eb91547d3bbfe887e05bdb90d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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