Carbonate Ion → 6-chloro-4-(5-(4-isopropylpiperazin-1-yl)pyridin-2-ylamino)-2-methylpyridazin-3(2H)-one
Reaction equation
[Br:17][c:18]1[c:19](=[O:26])[n:20]([CH3:25])[n:21][c:22]([Cl:24])[cH:23]1.[C:27](=[O:28])([O-:29])[O-:30].[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([NH2:16])[n:14][cH:15]2)[CH2:8][CH2:9]1.[Cs+:31].[Cs+:32].[O:113]=[C:114]([CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1)[CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1.[O:131]1[CH2:132][CH2:133][O:134][CH2:135][CH2:136]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[O:95]=[C:96]([CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1)[CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[Pd:75].[Pd:76].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[c:42]3[c:66]([cH:67][cH:68][cH:69]2)[C:63]([CH3:64])([CH3:65])[c:45]2[c:44]([c:49]([P:50]([c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[c:57]4[cH:58][cH:59][cH:60][cH:61][cH:62]4)[cH:48][cH:47][cH:46]2)[O:43]3)[cH:70][cH:71][cH:72][cH:73][cH:74]1>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([NH:16][c:18]3[c:19](=[O:26])[n:20]([CH3:25])[n:21][c:22]([Cl:24])[cH:23]3)[n:14][cH:15]2)[CH2:8][CH2:9]1Participants
9
Reactant 8
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 312751,4-Dioxane
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
HCID 434619445-(4-(Propan-2-yl)piperazin-1-yl)pyridin-2-amine
HCID 592164744-Bromo-6-chloro-2-methyl-2,3-dihydropyridazin-3-oneProduct 1
Sources & evidence
- ORD record
- ord-4689dcc691c8491eabf31757446bd3d0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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