Water → 6-chloro-2-methyl-4-(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridazin-3(2H)-one

HRID 2149461Notes

Reaction equation

HRID 2149461 reaction equation
[Br:12][c:13]1[c:14](=[O:21])[n:15]([CH3:20])[n:16][c:17]([Cl:19])[cH:18]1.[CH3:1][N:2]1[CH2:3][c:4]2[n:5]([n:8][c:9]([NH2:11])[cH:10]2)[CH2:6][CH2:7]1.[Cl:70][CH2:71][Cl:72].[O:112]=[C:113]([CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1)[CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1.[O:64]1[CH2:65][CH2:66][O:67][CH2:68][CH2:69]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[OH2:73].[Pd:74].[Pd:75].[c:22]1([P:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[c:31]3[c:55]([cH:56][cH:57][cH:58]2)[C:52]([CH3:53])([CH3:54])[c:34]2[c:33]([c:38]([P:39]([c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[cH:37][cH:36][cH:35]2)[O:32]3)[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[CH3:1][N:2]1[CH2:3][c:4]2[n:5]([n:8][c:9]([NH:11][c:13]3[c:14](=[O:21])[n:15]([CH3:20])[n:16][c:17]([Cl:19])[cH:18]3)[cH:10]2)[CH2:6][CH2:7]1

Participants

9

Reactant 8

HCID 962WaterHCID 6344DichloromethaneHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 580439335-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-amineHCID 592164744-Bromo-6-chloro-2-methyl-2,3-dihydropyridazin-3-one

Product 1

HCID 666346996-chloro-2-methyl-4-(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridazin-3(2H)-one

Sources & evidence

ORD record
ord-5a58c24704cb4757a65cb1b83a642f88
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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