Acetonitrile → HCID 178492281, compound

HRID 1130011Notes

Reaction equation

HRID 1130011 reaction equation
[CH3:20][O:21][c:22]1[cH:23][c:24]([CH2:25][NH2:26])[cH:27][c:28]([O:30][CH3:31])[cH:29]1.[CH3:32][C:33]#[N:34].[CH:1]1([CH2:7][CH:8]([CH:9]2[O:10][CH2:11]2)[NH:12][C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1>>[CH:1]1([CH2:7][CH:8]([CH:9]([OH:10])[CH2:11][NH:26][CH2:25][c:24]2[cH:23][c:22]([O:21][CH3:20])[cH:29][c:28]([O:30][CH3:31])[cH:27]2)[NH:12][C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 420973(3,5-Dimethoxyphenyl)methanamineHCID 13892785tert-Butyl [2-cyclohexyl-1-(oxiran-2-yl)ethyl]carbamate

Product 1

HCID 178492281HCID 178492281, compound

Sources & evidence

ORD record
ord-049be877bf3143738febb79007136073
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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