Allyl Isothiocyanate → HCID 178458027, compound

HRID 2132681Notes

Reaction equation

HRID 2132681 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].[N:27](=[C:28]=[S:29])[CH2:30][CH:31]=[CH2:32]>>[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:27][CH2:30][CH:31]=[CH2:32]

Participants

4

Reactant 3

HCID 5971Allyl IsothiocyanateHCID 6342AcetonitrileHCID 14130733(3,4,6-Triacetyloxy-5-isothiocyanatooxan-2-yl)methyl acetate

Product 1

HCID 178458027HCID 178458027, compound

Sources & evidence

ORD record
ord-13e87684228f4f4da4938c61e3fab684
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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