Toluene → Ethyl 2-(1-phenylethylamino)cyclohexene-1-carboxylate

HRID 136687

Reaction equation

HRID 136687 reaction equation
[CH3:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[CH3:29][C:30]#[N:31].[O:1]=[C:2]1[CH:3]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[CH2:4][CH2:5][CH2:6][CH2:7]1.[c:13]1([CH:19]([CH3:20])[NH2:21])[cH:14][cH:15][cH:16][cH:17][cH:18]1>>[C:2]1([NH:21][CH:19]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH3:20])=[C:3]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6342AcetonitrileHCID 74081-PhenethylamineHCID 95543Ethyl 2-oxocyclohexanecarboxylate

Product 1

HCID 11778072Ethyl 2-(1-phenylethylamino)cyclohexene-1-carboxylate

Sources & evidence

ORD record
ord-d2dc7bcd2bee4b8597317b9972e1072e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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