Water → methyl N-benzoyl-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-nitrocarbamimidothioate

HRID 692862Notes

Reaction equation

HRID 692862 reaction equation
[C:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)(=[O:32])[Cl:33].[CH3:22][C:23]#[N:24].[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.[OH2:34].[cH:16]1[cH:17][cH:18][n:19][cH:20][cH:21]1>>[Cl:1][c:2]1[s:3][c:4]([CH2:7][N:8]([C:9]([S:10][CH3:11])=[N:12][N+:13](=[O:14])[O-:15])[C:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)=[O:32])[cH:5][n:6]1

Participants

6

Reactant 5

HCID 962WaterHCID 1049PyridineHCID 6342AcetonitrileHCID 7412Benzoyl chlorideHCID 136331499N-(2-chloro-5-thiazolylmethyl)-S-methyl-N'-nitroisothiourea

Product 1

HCID 70200474methyl N-benzoyl-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-nitrocarbamimidothioate

Sources & evidence

ORD record
ord-2cbe032b1ad349828a9fa74d59a900c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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