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

반응식

[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

참가 물질

반응물 3

HCID 6342Acetonitrile

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

HCID 813631-Chloro-3-iodopropane

생성물 1

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

출처 및 근거

ORD 기록: ord-ac2021dfaf474188937c4850cb3f1565
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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