Calcium Cation → O-methyl-N-(2-chloro-5-thiazolylmethyl)-N'-nitroisourea

HRID 211118Notes

Reaction equation

HRID 211118 reaction equation
[CH3:1][O:2][C:3]([NH:4][N+:5](=[O:6])[O-:7])=[NH:8].[Ca+2:12].[Cl-:11].[Cl-:13].[ClH:14].[NH2:15][CH2:16][c:17]1[cH:18][n:19][c:20]([Cl:22])[s:21]1.[Na+:24].[OH-:23].[OH2:10].[OH2:25].[OH2:9]>>[CH3:1][O:2][C:3](=[N:4][N+:5](=[O:6])[O-:7])[NH:8][CH2:16][c:17]1[cH:18][n:19][c:20]([Cl:22])[s:21]1

Participants

9

Reactant 8

HCID 271Calcium CationHCID 312Chloride2×HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962Water3×HCID 101541292-Chloro-5-aminomethylthiazoleHCID 136196430O-methyl-N-nitroisourea

Product 1

HCID 136404632O-methyl-N-(2-chloro-5-thiazolylmethyl)-N'-nitroisourea

Sources & evidence

ORD record
ord-e897a71d85794cbba6ac220f48859477
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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