Acetonitrile → HCID 4581444, compound

HRID 1220661Notes

Reaction equation

HRID 1220661 reaction equation
[C:15](=[O:16])([O:17][CH3:18])[N:19]=[C:20]=[S:21].[CH3:22][C:23]#[N:24].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH2:6])[cH:7][c:8]([S:11][CH2:12][CH2:13][CH3:14])[cH:9][cH:10]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH:6][C:20]([NH:19][C:15](=[O:16])[O:17][CH3:18])=[S:21])[cH:7][c:8]([S:11][CH2:12][CH2:13][CH3:14])[cH:9][cH:10]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 552246Methoxycarbonyl isothiocyanateHCID 643320Benzenamine, 2-nitro-5-(propylthio)-

Product 1

HCID 4581444HCID 4581444, compound

Sources & evidence

ORD record
ord-d7008f8ac3e5460f8de8b5a0a1a7366c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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