Toluene → 2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate

HRID 95593

Reaction equation

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

Participants

Reactant 4

HCID 1140Toluene

HCID 8471Triethylamine

HCID 10040Thiophosgene

HCID 891481,4-Benzodioxan-6-ylamine

Product 1

HCID 27761732,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate

Sources & evidence

ORD record: ord-3877a3eab63d45cf826a1926b0626ab1
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Linked notes

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