Acetone → 3-Phenoxyphenylisothiocyanate

HRID 2344532Notes

Reaction equation

HRID 2344532 reaction equation
[CH3:19][C:20](=[O:21])[CH3:22].[Cl:15][C:16]([Cl:17])=[S:18].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([NH2:11])[cH:12][cH:13][cH:14]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([N:11]=[C:16]=[S:18])[cH:12][cH:13][cH:14]1

Participants

4

Reactant 3

HCID 180AcetoneHCID 10040ThiophosgeneHCID 771353-Phenoxyaniline

Product 1

HCID 220412813-Phenoxyphenylisothiocyanate

Sources & evidence

ORD record
ord-ea5ac767eebc4090b07ab3d9e96321fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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