Potassium Cation → S,N-dimethyl-N'-nitro-N-phenylacetylisothiourea

HRID 113539

Reaction equation

HRID 113539 reaction equation
[C:10](=[O:11])([O-:12])[O-:13].[CH3:1][S:2][C:3]([NH:4][CH3:5])=[N:6][N+:7](=[O:8])[O-:9].[CH3:26][C:27]#[N:28].[K+:14].[K+:15].[c:16]1([CH2:22][C:23](=[O:24])[Cl:25])[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[CH3:1][S:2][C:3]([N:4]([CH3:5])[C:23]([CH2:22][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)=[O:24])=[N:6][N+:7](=[O:8])[O-:9]

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 7679Phenylacetyl chlorideHCID 19660Carbonate IonHCID 1362270171,2-Dimethyl-3-nitroisothiourea

Product 1

HCID 70203144S,N-dimethyl-N'-nitro-N-phenylacetylisothiourea

Sources & evidence

ORD record
ord-9f9e840537ea4e2cb89460a197d7ca0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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