Acetic Acid → Dimethyl-thiocarbamic acid S-(4-amino-2,6-dichloro-phenyl)ester

HRID 89913Notes

Reaction equation

HRID 89913 reaction equation
[CH3:19][C:20](=[O:21])[OH:22].[CH3:23][CH:24]([OH:25])[CH3:26].[Cl:1][c:2]1[c:3]([S:12][C:13]([N:14]([CH3:15])[CH3:16])=[O:17])[c:4]([Cl:11])[cH:5][c:6]([N+:8]([O-:9])=[O:10])[cH:7]1.[Fe:27].[OH2:18]>>[Cl:1][c:2]1[c:3]([S:12][C:13]([N:14]([CH3:15])[CH3:16])=[O:17])[c:4]([Cl:11])[cH:5][c:6]([NH2:8])[cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 3776IsopropanolHCID 23925IronHCID 12661483S-(2,6-Dichloro-4-nitrophenyl) dimethylcarbamothioate

Product 1

HCID 59834498Dimethyl-thiocarbamic acid S-(4-amino-2,6-dichloro-phenyl)ester

Sources & evidence

ORD record
ord-ac6e47c96348408893c6458bc4203271
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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