Toluene → 2,5-Bis(2,2,2-trifluoroethoxy)phenyl isocyanate

HRID 186503Notes

Reaction equation

HRID 186503 reaction equation
[CH3:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[Cl:1][C:2]([Cl:3])=[O:4].[F:5][C:6]([CH2:7][O:8][c:9]1[c:10]([NH2:11])[cH:12][c:13]([O:16][CH2:17][C:18]([F:19])([F:20])[F:21])[cH:14][cH:15]1)([F:22])[F:23]>>[C:2](=[O:4])=[N:11][c:10]1[c:9]([O:8][CH2:7][C:6]([F:5])([F:22])[F:23])[cH:15][cH:14][c:13]([O:16][CH2:17][C:18]([F:19])([F:20])[F:21])[cH:12]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 6371PhosgeneHCID 133704342,5-Bis(trifluoroethoxy)aniline

Product 1

HCID 133704362,5-Bis(2,2,2-trifluoroethoxy)phenyl isocyanate

Sources & evidence

ORD record
ord-b6ed1a28d9d04d69a88b416347cc086b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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