Diethyl (1-cyanoethyl)phosphonate → 2-[1-[2-Fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidin-4-ylidene]propanenitrile

HRID 1204956

반응식

HRID 1204956 반응식
[CH2:23]([O:24][P:25](=[O:26])([O:27][CH2:28][CH3:29])[CH:31]([CH3:32])[C:33]#[N:34])[CH3:30].[O:1]=[C:2]1[CH2:3][CH2:4][N:5]([c:8]2[c:9]([F:22])[cH:10][c:11]([N:14]3[C:15](=[O:21])[O:16][CH:17]([CH2:19][OH:20])[CH2:18]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1>>[C:2]1(=[C:31]([CH3:32])[C:33]#[N:34])[CH2:3][CH2:4][N:5]([c:8]2[c:9]([F:22])[cH:10][c:11]([N:14]3[C:15](=[O:21])[O:16][CH:17]([CH2:19][OH:20])[CH2:18]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1

참가 물질

3

반응물 2

HCID 282103Diethyl (1-cyanoethyl)phosphonateHCID 686987983-[3-Fluoro-4-(4-oxopiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

생성물 1

HCID 693151992-[1-[2-Fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidin-4-ylidene]propanenitrile

출처 및 근거

ORD 기록
ord-365ae591d6334b26accd6e19e36fb82f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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