Carbonate Ion → 6-Chloro-2-methyl-4-[[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]amino]pyridazin-3-one

HRID 305949Notes

Reaction equation

HRID 305949 reaction equation
[Br:14][c:15]1[c:16](=[O:23])[n:17]([CH3:22])[n:18][c:19]([Cl:21])[cH:20]1.[C:24](=[O:25])([O-:26])[O-:27].[CH3:1][N:2]1[CH:3]([c:7]2[cH:8][cH:9][c:10]([NH2:13])[n:11][cH:12]2)[CH2:4][CH2:5][CH2:6]1.[Cs+:28].[Cs+:29].[O:110]=[C:111]([CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1)[CH:120]=[CH:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[O:128]1[CH2:129][CH2:130][O:131][CH2:132][CH2:133]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Pd:72].[Pd:73].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[c:39]3[c:63]([cH:64][cH:65][cH:66]2)[C:60]([CH3:61])([CH3:62])[c:42]2[c:41]([c:46]([P:47]([c:48]4[cH:49][cH:50][cH:51][cH:52][cH:53]4)[c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)[cH:45][cH:44][cH:43]2)[O:40]3)[cH:67][cH:68][cH:69][cH:70][cH:71]1>>[CH3:1][N:2]1[CH:3]([c:7]2[cH:8][cH:9][c:10]([NH:13][c:15]3[c:16](=[O:23])[n:17]([CH3:22])[n:18][c:19]([Cl:21])[cH:20]3)[n:11][cH:12]2)[CH2:4][CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 31107895-(1-Methylpyrrolidin-2-yl)pyridin-2-amineHCID 592164744-Bromo-6-chloro-2-methyl-2,3-dihydropyridazin-3-one

Product 1

HCID 667430846-Chloro-2-methyl-4-[[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]amino]pyridazin-3-one

Sources & evidence

ORD record
ord-94226c8e743747c29ca5edbace26ed20
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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