Acetonitrile → 2-[2-(2,2,2-Trifluoroethyl)guanidino]-6-[3-(3-methylthioureido)propylthio]pyrazine

HRID 143987

Reaction equation

HRID 143987 reaction equation
[CH3:21][N:22]=[C:23]=[S:24].[CH3:25][C:26]#[N:27].[F:1][C:2]([CH2:3][N:4]=[C:5]([NH:6][c:7]1[n:8][c:9]([S:13][CH2:14][CH2:15][CH2:16][NH2:17])[cH:10][n:11][cH:12]1)[NH2:18])([F:19])[F:20]>>[F:1][C:2]([CH2:3][N:4]=[C:5]([NH:6][c:7]1[n:8][c:9]([S:13][CH2:14][CH2:15][CH2:16][NH:17][C:23]([NH:22][CH3:21])=[S:24])[cH:10][n:11][cH:12]1)[NH2:18])([F:19])[F:20]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 11167Methyl isothiocyanateHCID 212988192-[2-(2,2,2-Trifluoroethyl)guanidino]-6-(3-aminopropylthio)pyrazine

Product 1

HCID 212987842-[2-(2,2,2-Trifluoroethyl)guanidino]-6-[3-(3-methylthioureido)propylthio]pyrazine

Sources & evidence

ORD record
ord-09aec1d8cc6a414db60e5d4c024fb3bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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