Acetonitrile → HCID 86747160, compound

HRID 199034Notes

Reaction equation

HRID 199034 reaction equation
[C:17]([CH3:18])([CH3:19])([CH3:20])[N:21]=[C:22]=[S:23].[CH3:24][C:25]#[N:26].[NH:1]=[C:2]1[S:3][CH2:4][CH2:5][N:6]1[c:7]1[c:8]([N+:14](=[O:15])[O-:16])[cH:9][cH:10][c:11]([Cl:13])[cH:12]1>>[N:1](=[C:2]1[S:3][CH2:4][CH2:5][N:6]1[c:7]1[c:8]([N+:14](=[O:15])[O-:16])[cH:9][cH:10][c:11]([Cl:13])[cH:12]1)[C:22]([NH:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[S:23]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 11544tert-Butyl isothiocyanateHCID 19737883HCID 19737883, compound

Product 1

HCID 86747160HCID 86747160, compound

Sources & evidence

ORD record
ord-71d122dd4eff4947a870003fc1209ba0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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