Phosgene → 3,4-dihydro-6-isocyanato-3-oxo-4-(2-propynyl)-2H-1,4-benzoxazine

HRID 103538Notes

Reaction equation

HRID 103538 reaction equation
[Cl:16][C:17]([Cl:18])=[O:19].[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:15]1)[N:7]([CH2:12][C:13]#[CH:14])[C:8](=[O:11])[CH2:9][O:10]2>>[N:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:15]1)[N:7]([CH2:12][C:13]#[CH:14])[C:8](=[O:11])[CH2:9][O:10]2)=[C:17]=[O:19]

Participants

3

Reactant 2

HCID 6371PhosgeneHCID 136490056-amino-4-propargyl-2H-1,4-benzoxazin-3(4H)-one

Product 1

HCID 197458273,4-dihydro-6-isocyanato-3-oxo-4-(2-propynyl)-2H-1,4-benzoxazine

Sources & evidence

ORD record
ord-75f1a12421114c8da2adb4bbd590c234
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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