Pyridine → N-acetyl-N-(6-chloro-3-pyridylmethyl)-S-methyl-N'-nitroisothiourea

HRID 208888Notes

Reaction equation

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

Participants

Reactant 4

HCID 1049Pyridine

HCID 6342Acetonitrile

HCID 6367Acetyl chloride

HCID 1361361971-(2-Chloro-5-pyridylmethyl)-2-methyl-3-nitroisothiourea

Product 1

HCID 86751713N-acetyl-N-(6-chloro-3-pyridylmethyl)-S-methyl-N'-nitroisothiourea

Sources & evidence

ORD record: ord-7cc1283a78564b79a172e1c1b7eba139
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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