Carbonate Ion → 6-Chloro-4-[6-(2-dimethylamino-1,1-dimethyl-ethoxy)-pyridazin-3-ylamino]-2-methyl-2H-pyridazin-3-one

HRID 197962

Reaction equation

HRID 197962 reaction equation
[Br:16][c:17]1[c:18](=[O:25])[n:19]([CH3:24])[n:20][c:21]([Cl:23])[cH:22]1.[C:26](=[O:27])([O-:28])[O-:29].[CH3:1][N:2]([CH2:3][C:4]([CH3:5])([CH3:6])[O:7][c:8]1[cH:9][cH:10][c:11]([NH2:14])[n:12][n:13]1)[CH3:15].[Cs+:30].[Cs+:31].[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1>>[CH3:1][N:2]([CH2:3][C:4]([CH3:5])([CH3:6])[O:7][c:8]1[cH:9][cH:10][c:11]([NH:14][c:17]2[c:18](=[O:25])[n:19]([CH3:24])[n:20][c:21]([Cl:23])[cH:22]2)[n:12][n:13]1)[CH3:15]

Participants

6

Reactant 5

HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 592164744-Bromo-6-chloro-2-methyl-2,3-dihydropyridazin-3-oneHCID 667429246-(2-Dimethylamino-1,1-dimethyl-ethoxy)-pyridazin-3-ylamine

Product 1

HCID 667429116-Chloro-4-[6-(2-dimethylamino-1,1-dimethyl-ethoxy)-pyridazin-3-ylamino]-2-methyl-2H-pyridazin-3-one

Sources & evidence

ORD record
ord-922e218cf8be4c0090114e79396d2540
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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