1,4-Dioxane → 1-Acetyl-6-([2,4-difluorobenzylamino]methylcarbonyl)amino-4-phenyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline

HRID 285421Notes

Reaction equation

HRID 285421 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[C:5]([CH3:26])([CH3:27])[CH2:6][C:7]([CH3:19])([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:8]2[cH:9][c:10]([NH:14][C:15]([CH2:16][Br:17])=[O:18])[cH:11][cH:12][c:13]21.[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[F:28][c:29]1[c:30]([CH2:31][NH2:32])[cH:33][cH:34][c:35]([F:37])[cH:36]1.[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[C:5]([CH3:26])([CH3:27])[CH2:6][C:7]([CH3:19])([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:8]2[cH:9][c:10]([NH:14][C:15]([CH2:16][NH:32][CH2:31][c:30]3[c:29]([F:28])[cH:36][c:35]([F:37])[cH:34][cH:33]3)=[O:18])[cH:11][cH:12][c:13]21

Participants

5

Reactant 4

HCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 27332442,4-DifluorobenzylamineHCID 179628791-Acetyl-6-(bromoacetyl)amino-4-phenyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline

Product 1

HCID 179629131-Acetyl-6-([2,4-difluorobenzylamino]methylcarbonyl)amino-4-phenyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline

Sources & evidence

ORD record
ord-e2bd1ac18e7b49b39134c0f97a1f3cd2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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