Chloride → N,N'-bis(2-chloro-5-thiazolylmethyl)-N"-nitroguanidine

Reaction equation

[C:16](=[O:17])([O-:18])[O-:19].[CH3:31][C:32]#[N:33].[Cl-:22].[Cl:1][c:2]1[s:3][c:4]([CH2:7][NH:8][C:9]([S:10][CH3:11])=[N:12][N+:13](=[O:14])[O-:15])[cH:5][n:6]1.[Cl:23][c:24]1[s:25][c:26]([CH2:29][NH2:30])[cH:27][n:28]1.[K+:20].[K+:21]>>[Cl:1][c:2]1[s:3][c:4]([CH2:7][NH:8][C:9](=[N:12][N+:13](=[O:14])[O-:15])[NH:30][CH2:29][c:26]2[s:25][c:24]([Cl:23])[n:28][cH:27]2)[cH:5][n:6]1

Participants

Reactant 6

HCID 312Chloride

HCID 813Potassium Cation2×

HCID 6342Acetonitrile

HCID 19660Carbonate Ion

HCID 101541292-Chloro-5-aminomethylthiazole

HCID 136331499N-(2-chloro-5-thiazolylmethyl)-S-methyl-N'-nitroisothiourea

Product 1

HCID 135827986

Sources & evidence

ORD record: ord-fee4882f4fd84adc8f5232dc31f7e44b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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