Phenethyl Isothiocyanate → 1-Piperazinecarbothioamide, N-(2-phenylethyl)-4-pyrazinyl-

HRID 194987

Reaction equation

HRID 194987 reaction equation
[S:13]=[C:14]=[N:15][CH2:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[n:1]1[c:2]([N:7]2[CH2:8][CH2:9][NH:10][CH2:11][CH2:12]2)[cH:3][n:4][cH:5][cH:6]1>>[n:1]1[c:2]([N:7]2[CH2:8][CH2:9][N:10]([C:14](=[S:13])[NH:15][CH2:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH2:11][CH2:12]2)[cH:3][n:4][cH:5][cH:6]1

Participants

3

Reactant 2

HCID 16741Phenethyl IsothiocyanateHCID 27346391-Piperazinylpyrazine

Product 1

HCID 34820101-Piperazinecarbothioamide, N-(2-phenylethyl)-4-pyrazinyl-

Sources & evidence

ORD record
ord-4381d5c9b2ca48e29fc9edf1505e0b84
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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