5-Bromo-4-methylthiophene-2-carbonitrile → 5(2-Methylspiro[4H-3,1-benzoxazine-4,1'-cyclopentane]-6-yl)-4 methyl-2-thiophenecarbonitrile

HRID 293616

반응식

HRID 293616 반응식
[Br:17][c:18]1[c:19]([CH3:25])[cH:20][c:21]([C:23]#[N:24])[s:22]1.[CH3:1][C:2]1=[N:3][c:4]2[c:5]([cH:12][c:13]([Br:16])[cH:14][cH:15]2)[C:6]2([O:7]1)[CH2:8][CH2:9][CH2:10][CH2:11]2>>[CH3:1][C:2]1=[N:3][c:4]2[c:5]([cH:12][c:13](-[c:18]3[c:19]([CH3:25])[cH:20][c:21]([C:23]#[N:24])[s:22]3)[cH:14][cH:15]2)[C:6]2([O:7]1)[CH2:8][CH2:9][CH2:10][CH2:11]2

참가 물질

3

반응물 2

HCID 219862345-Bromo-4-methylthiophene-2-carbonitrileHCID 234355852-methyl-6-bromospiro[4H-3,1-benzoxazine-4,1'-cyclopentane]

생성물 1

HCID 234355965(2-Methylspiro[4H-3,1-benzoxazine-4,1'-cyclopentane]-6-yl)-4 methyl-2-thiophenecarbonitrile

출처 및 근거

ORD 기록
ord-5c941c83774e4e578a7ce7a4bbfff2c7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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