3-Methylcyclohexanone → 6-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-7-hydroxy-4-{[3-methylcyclohexylidene]amino}thieno[3,2-b]pyridin-5(4H)-one

HRID 1539393

반응식

HRID 1539393 반응식
[CH3:25][CH:26]1[CH2:27][C:28](=[O:32])[CH2:29][CH2:30][CH2:31]1.[CH3:33][N:34]([CH3:35])[C:36](=[O:37])[CH3:38].[NH2:1][n:2]1[c:3]2[c:4]([c:5]([OH:21])[c:6]([C:9]3=[N:10][S:11](=[O:19])(=[O:20])[c:12]4[c:13]([cH:15][cH:16][cH:17][cH:18]4)[NH:14]3)[c:7]1=[O:8])[s:22][cH:23][cH:24]2>>[N:1]([n:2]1[c:3]2[c:4]([c:5]([OH:21])[c:6]([C:9]3=[N:10][S:11](=[O:19])(=[O:20])[c:12]4[c:13]([cH:15][cH:16][cH:17][cH:18]4)[NH:14]3)[c:7]1=[O:8])[s:22][cH:23][cH:24]2)=[C:28]1[CH2:27][CH:26]([CH3:25])[CH2:31][CH2:30][CH2:29]1

참가 물질

4

반응물 3

HCID 115673-MethylcyclohexanoneHCID 31374DimethylacetamideHCID 1363736274-amino-6-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-7-hydroxythieno[3,2-b]pyridin-5(4H)-one

생성물 1

HCID 1363584816-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-7-hydroxy-4-{[3-methylcyclohexylidene]amino}thieno[3,2-b]pyridin-5(4H)-one

출처 및 근거

ORD 기록
ord-ea8024c330134628bd8697888aa8e8f9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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