Acetonitrile → HCID 178476160, compound

HRID 208694Notes

Reaction equation

HRID 208694 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[O:6][CH:7]([CH2:22][O:23][C:24]([CH3:25])=[O:26])[CH:8]([O:18][C:19]([CH3:20])=[O:21])[CH:9]([O:14][C:15]([CH3:16])=[O:17])[CH:10]1[N:11]=[C:12]=[S:13].[CH3:33][C:34]#[N:35].[F:27][C:28]([CH2:29][NH2:30])([F:31])[F:32]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[O:6][CH:7]([CH2:22][O:23][C:24]([CH3:25])=[O:26])[CH:8]([O:18][C:19]([CH3:20])=[O:21])[CH:9]([O:14][C:15]([CH3:16])=[O:17])[CH:10]1[NH:11][C:12](=[S:13])[NH:30][CH2:29][C:28]([F:27])([F:31])[F:32]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 9773Ethanamine, 2,2,2-trifluoro-HCID 14130733(3,4,6-Triacetyloxy-5-isothiocyanatooxan-2-yl)methyl acetate

Product 1

HCID 178476160HCID 178476160, compound

Sources & evidence

ORD record
ord-245b4d5ae6d74b2790735e404491a021
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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