Acetonitrile → 4-(3-chloropropyl)-2H-1,4-benzoxazin-3(4H)-one

Reaction equation

[CH3:17][C:18]#[N:19].[Cl:12][CH2:13][CH2:14][CH2:15][I:16].[O:1]1[CH2:2][C:3](=[O:11])[NH:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2>>[O:1]1[CH2:2][C:3](=[O:11])[N:4]([CH2:15][CH2:14][CH2:13][Cl:12])[c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2

Participants

Reactant 3

HCID 6342Acetonitrile

HCID 727572H-1,4-benzoxazin-3(4H)-one

HCID 813631-Chloro-3-iodopropane

Product 1

HCID 233451504-(3-chloropropyl)-2H-1,4-benzoxazin-3(4H)-one

Sources & evidence

ORD record: ord-ac2021dfaf474188937c4850cb3f1565
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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