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 2122681Notes

Reaction equation

HRID 2122681 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH2:20]([CH3:21])[CH:22]([CH2:23][CH3:24])[c:25]1[c:26]2[n:27]([n:28][c:29]([CH3:31])[cH:30]1)[c:32]([I:36])[c:33]([CH3:35])[n:34]2.[CH3:1][n:2]1[c:3]([B:11]2[O:12][C:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[O:19]2)[cH:4][c:5]2[c:6]1[n:7][cH:8][cH:9][cH:10]2.[CH3:44][CH2:45][OH:46].[Cl:47][CH2:48][Cl:49].[Na+:41].[Na+:42].[OH2:43].[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[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)[cH:125][cH:126]1>>[CH3:1][n:2]1[c:3](-[c:32]2[n:27]3[c:26]([c:25]([CH:22]([CH2:20][CH3:21])[CH2:23][CH3:24])[cH:30][c:29]([CH3:31])[n:28]3)[n:34][c:33]2[CH3:35])[cH:4][c:5]2[c:6]1[n:7][cH:8][cH:9][cH:10]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-5cb4c20d29f643379445fd2a0da00073
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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