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Bicarbonate Ion → [1-[3-[(5,7-Difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]urea

HRID 152540
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인쇄 미리보기

반응식

HRID 152540 반응식
[C:31](=[O:32])([OH:33])[O-:34].[CH3:36][OH:37].[F:1][c:2]1[c:3]2[cH:4][cH:5][cH:6][n:7][c:8]2[cH:9][c:10]([F:25])[c:11]1[CH2:12][c:13]1[n:14][n:15][c:16]2[n:17]1[n:18][c:19]([C:22]([CH3:23])=[O:24])[cH:20][cH:21]2.[NH2:26][NH:27][C:28]([NH2:29])=[O:30].[Na+:35]>>[F:1][c:2]1[c:3]2[cH:4][cH:5][cH:6][n:7][c:8]2[cH:9][c:10]([F:25])[c:11]1[CH2:12][c:13]1[n:14][n:15][c:16]2[n:17]1[n:18][c:19]([C:22]([CH3:23])=[N:26][NH:27][C:28]([NH2:29])=[O:30])[cH:20][cH:21]2
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium IonHCID 5196SemicarbazideHCID 581905331-(3-((5,7-Difluoroquinolin-6-yl)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethanone

생성물 1

HCID 75581190[1-[3-[(5,7-Difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]urea

출처 및 근거

ORD 기록
ord-8edd07d4442a45ea8df9aefe9dfd4661
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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