Toluene → 5-(2,4-Dimethylphenyl)-3-methyl-1-(2-pyridyl)-1,3,5-triazapenta-1,4-diene

HRID 121357Notes

Reaction equation

HRID 121357 reaction equation
[CH3:11][c:12]1[c:13]([N+:19]#[C-:20])[cH:14][cH:15][c:16]([CH3:18])[cH:17]1.[CH3:1][NH:2][CH:3]=[N:4][c:5]1[n:6][cH:7][cH:8][cH:9][cH:10]1.[CH3:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[CH3:1][N:2]([CH:3]=[N:4][c:5]1[n:6][cH:7][cH:8][cH:9][cH:10]1)[CH:20]=[N:19][c:13]1[c:12]([CH3:11])[cH:17][c:16]([CH3:18])[cH:15][cH:14]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 42121842,4-DimethylphenylisocyanideHCID 178484920N-methyl-N'-(2-pyridyl)-formamidine

Product 1

HCID 544831495-(2,4-Dimethylphenyl)-3-methyl-1-(2-pyridyl)-1,3,5-triazapenta-1,4-diene

Sources & evidence

ORD record
ord-9b37e0aaeae94736832ccf84ee6d09ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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