Acetonitrile → HCID 178476159, compound

HRID 671833Notes

Reaction equation

HRID 671833 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].[CH3:32][CH2:33][O:34][C:35]([CH3:36])=[O:37].[CH3:38][C:39]#[N:40].[F:27][CH:28]([CH2:29][NH2:30])[F:31]>>[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][CH:28]([F:27])[F:31]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 1362742,2-DifluoroethanamineHCID 14130733(3,4,6-Triacetyloxy-5-isothiocyanatooxan-2-yl)methyl acetate

Product 1

HCID 178476159HCID 178476159, compound

Sources & evidence

ORD record
ord-321b986002394782b699fe3a441ea98e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…