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

HRID 135794

반응식

HRID 135794 반응식
[C:12](=[O:13])([O-:14])[O-:15].[CH3:23][C:24]#[N:25].[Cl:18][CH2:19][CH2:20][CH2:21][I:22].[Cs+:16].[Cs+:17].[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]([CH2:21][CH2:20][CH2:19][Cl:18])[c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2

참가 물질

6

반응물 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 727572H-1,4-benzoxazin-3(4H)-oneHCID 813631-Chloro-3-iodopropaneHCID 104967Cesium cation2회

생성물 1

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

출처 및 근거

ORD 기록
ord-18643393ca8b4961a47a6c9d81b7810b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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