5-Nitroquinoline-8-carbonitrile → 5-(7-Hydroxy-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)quinoline-8-carbonitrile

HRID 101149

반응식

HRID 101149 반응식
[N+:1]([O-:2])(=[O:3])[c:4]1[c:5]2[cH:6][cH:7][cH:8][n:9][c:10]2[c:11]([C:14]#[N:15])[cH:12][cH:13]1.[N:16]([c:17]1[c:18]2[c:23]([c:24]([C:25]#[N:26])[cH:27][cH:28]1)[CH2:22][CH2:21][CH2:20][CH2:19]2)=[C:29]=[O:30].[OH:31][CH:32]1[CH2:33][CH2:34][N:35]2[C:36](=[O:53])[N:37]([c:41]3[c:42]4[c:47]([c:48]([C:49]#[N:50])[cH:51][cH:52]3)[CH2:46][CH2:45][CH2:44][CH2:43]4)[C:38](=[O:40])[CH:39]12>>[N:1]1([c:4]2[c:5]3[cH:6][cH:7][cH:8][n:9][c:10]3[c:11]([C:14]#[N:15])[cH:12][cH:13]2)[C:36](=[O:53])[N:35]2[CH2:34][CH2:33][CH:32]([OH:31])[CH:39]2[C:38]1=[O:40]

참가 물질

4

반응물 3

HCID 218748385-Nitroquinoline-8-carbonitrileHCID 597543044-Isocyanato-5,6,7,8-tetrahydronaphthalene-1-carbonitrileHCID 708595274-(7-Hydroxy-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile

생성물 1

HCID 708595775-(7-Hydroxy-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)quinoline-8-carbonitrile

출처 및 근거

ORD 기록
ord-cb1039a495ce4d33ab36743dc957d71d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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