1,4-Dioxane → 2-(4-fluoro-2-methyl-phenylamino)-1,6-dimethyl-9-oxo-8,9-dihydro-1H-imidazo[4,5-h]isoquinoline-7-carbaldehyde

HRID 175805Notes

Reaction equation

HRID 175805 reaction equation
[F:1][c:2]1[cH:3][c:4]([CH3:26])[c:5]([NH:8][c:9]2[n:10]([CH3:25])[c:11]3[c:12]([cH:13][cH:14][c:15]4[c:16]([CH3:23])[c:17]([CH3:22])[nH:18][c:19](=[O:21])[c:20]34)[n:24]2)[cH:6][cH:7]1.[O:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1>>[F:1][c:2]1[cH:3][c:4]([CH3:26])[c:5]([NH:8][c:9]2[n:10]([CH3:25])[c:11]3[c:12]([cH:13][cH:14][c:15]4[c:16]([CH3:23])[c:17]([CH:22]=[O:27])[nH:18][c:19](=[O:21])[c:20]34)[n:24]2)[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 312751,4-DioxaneHCID 668326292-(4-Fluoro-2-methyl-phenylamino)-1,6,7-trimethyl-1,8-dihydro-imidazo[4,5-h]isoquinolin-9-one

Product 1

HCID 866182842-(4-fluoro-2-methyl-phenylamino)-1,6-dimethyl-9-oxo-8,9-dihydro-1H-imidazo[4,5-h]isoquinoline-7-carbaldehyde

Sources & evidence

ORD record
ord-ddd8424a41314ce390ade40c047bcf9d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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