Hydrochloric Acid → N-(7-Cyclobutyl-3-phenyl-1,2,4-triazolo[4,3-b]pyridazin-6-yl)-N-(1-methyl-1H-1,2,4-triazol-3-ylmethyl)amine

HRID 121437

Reaction equation

HRID 121437 reaction equation
[CH3:22][n:23]1[n:24][c:25]([CH2:28][NH2:29])[n:26][cH:27]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[Cl:1][c:2]1[c:3]([CH:17]2[CH2:18][CH2:19][CH2:20]2)[cH:4][c:5]2[n:6]([n:7]1)[c:8](-[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[n:9][n:10]2.[ClH:21].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[c:2]1([NH:29][CH2:28][c:25]2[n:24][n:23]([CH3:22])[cH:27][n:26]2)[c:3]([CH:17]2[CH2:18][CH2:19][CH2:20]2)[cH:4][c:5]2[n:6]([n:7]1)[c:8](-[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[n:9][n:10]2

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 110005936-Chloro-7-cyclobutyl-3-phenyl-1,2,4-triazolo[4,3-b]pyridazineHCID 11051830(1-methyl-1H-1,2,4-triazol-3-yl)methanamine

Product 1

HCID 9841820N-(7-Cyclobutyl-3-phenyl-1,2,4-triazolo[4,3-b]pyridazin-6-yl)-N-(1-methyl-1H-1,2,4-triazol-3-ylmethyl)amine

Sources & evidence

ORD record
ord-80bef2bdf63d4cf2a030791200e08ec5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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