Acetonitrile → HCID 178484978, compound

HRID 145484Notes

Reaction equation

HRID 145484 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH2:8][S:9][CH2:10][CH2:11][NH2:12])[n:7]1.[CH3:30][C:31]#[N:32].[Cl:13][c:14]1[cH:15][c:16]([S:21](=[O:22])(=[O:23])[NH:24][C:25]([S:26][CH3:27])=[N:28][CH3:29])[cH:17][cH:18][c:19]1[Cl:20]>>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH2:8][S:9][CH2:10][CH2:11][N:12]=[C:25]([NH:24][S:21]([c:16]2[cH:15][c:14]([Cl:13])[c:19]([Cl:20])[cH:18][cH:17]2)(=[O:22])=[O:23])[NH:28][CH3:29])[n:7]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 20362805HCID 20362805, compoundHCID 22756464N-(3,4-dichlorobenzenesulphonyl)-N', S-dimethylisothiourea

Product 1

HCID 178484978HCID 178484978, compound

Sources & evidence

ORD record
ord-1ffa259c1d2c46169c9c8ad5b0ba67bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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