3-Methylbutanal → 3-(1,1-dioxo-7-phenylmethoxy-4H-1lambda6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutylideneamino)quinolin-2-one

HRID 149142

반응식

HRID 149142 반응식
[CH3:40][N:41]([CH3:42])[C:43](=[O:44])[CH3:45].[CH:34]([CH2:35][CH:36]([CH3:37])[CH3:38])=[O:39].[NH2:1][n:2]1[c:3](=[O:33])[c:4]([C:13]2=[N:14][S:15](=[O:31])(=[O:32])[c:16]3[c:17]([cH:19][cH:20][c:21]([O:23][CH2:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:22]3)[NH:18]2)[c:5]([OH:12])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12>>[N:1]([n:2]1[c:3](=[O:33])[c:4]([C:13]2=[N:14][S:15](=[O:31])(=[O:32])[c:16]3[c:17]([cH:19][cH:20][c:21]([O:23][CH2:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:22]3)[NH:18]2)[c:5]([OH:12])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12)=[CH:34][CH2:35][CH:36]([CH3:37])[CH3:38]

참가 물질

4

반응물 3

HCID 115523-MethylbutanalHCID 31374DimethylacetamideHCID 1363584841-amino-3-[7-(benzyloxy)-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl]-4-hydroxyquinolin-2(1H)-one

생성물 1

HCID 1365919153-(1,1-dioxo-7-phenylmethoxy-4H-1lambda6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutylideneamino)quinolin-2-one

출처 및 근거

ORD 기록
ord-af30c9b1a69142d4ad3ef283fb8bbc3c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…