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

HRID 1210691Notes

Reaction equation

HRID 1210691 reaction equation
[Br:1][c:2]1[c:3](=[O:10])[n:4]([CH3:9])[n:5][c:6]([Cl:8])[cH:7]1.[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[CH2:95]1[O:96][CH2:97][CH2:98][O:99][CH2:100]1.[CH3:11][N:12]1[CH2:13][c:14]2[n:15]([n:18][c:19]([NH2:21])[cH:20]2)[CH2:16][CH2:17]1.[CH3:22][Si:23]([CH3:24])([CH3:25])[N-:26][Si:27]([CH3:28])([CH3:29])[CH3:30].[CH:41](=[CH:42][C:43]([CH:44]=[CH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)=[O:52])[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH:59](=[CH:60][C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)=[O:70])[c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[CH:77](=[CH:78][C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)=[O:88])[c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[ClH:37].[Li+:31].[OH2:38].[Pd:39].[Pd:40]>>[c:2]1([NH:21][c:19]2[n:18][n:15]3[c:14]([cH:20]2)[CH2:13][N:12]([CH3:11])[CH2:17][CH2:16]3)[c:3](=[O:10])[n:4]([CH3:9])[n:5][c:6]([Cl:8])[cH:7]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 23938Palladium2×HCID 28486Lithium ionHCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 3280088Npc316347HCID 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-a26f6e9714894dbbbfda37b17a506c64
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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