Sodium ion → N6-(trans-4-aminocyclohexyl)-N8-(4-methoxybenzyl)-N8-phenyl-3-(2-(pyridin-4-yl)vinyl)imidazo[1,2-b]pyridazine-6,8-diamine

HRID 2145200Notes

Reaction equation

HRID 2145200 reaction equation
[CH3:35][C:36]([CH3:37])([O-:38])[CH3:39].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH:41]1([NH2:48])[CH2:42][CH2:43][CH:44]([NH2:47])[CH2:45][CH2:46]1.[Cl:1][c:2]1[cH:3][c:4]([N:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[CH2:26][c:27]2[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]2)[c:5]2[n:6]([n:7]1)[c:8]([CH:11]=[CH:12][c:13]1[cH:14][cH:15][n:16][cH:17][cH:18]1)[cH:9][n:10]2.[Na+:40]>>[c:2]1([NH:48][CH:41]2[CH2:42][CH2:43][CH:44]([NH2:47])[CH2:45][CH2:46]2)[cH:3][c:4]([N:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[CH2:26][c:27]2[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]2)[c:5]2[n:6]([n:7]1)[c:8]([CH:11]=[CH:12][c:13]1[cH:14][cH:15][n:16][cH:17][cH:18]1)[cH:9][n:10]2

Participants

6

Reactant 5

HCID 923Sodium ionHCID 1140TolueneHCID 183741,4-DiaminocyclohexaneHCID 45749132-Methylpropan-2-olateHCID 86618523HCID 86618523, compound

Product 1

HCID 68678433N6-(trans-4-aminocyclohexyl)-N8-(4-methoxybenzyl)-N8-phenyl-3-(2-(pyridin-4-yl)vinyl)imidazo[1,2-b]pyridazine-6,8-diamine

Sources & evidence

ORD record
ord-787859b1ae794b59a8eea138a3b59de8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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