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Water → 2-(2,4-difluorophenoxy)-5-(2,6-difluorophenyl)-6H-pyrido[1,2-b]pyridazin-6-one

HRID 124580
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인쇄 미리보기

반응식

HRID 124580 반응식
[C:21](=[O:22])([O-:23])[O-:24].[CH3:36][N:37]1[CH2:38][CH2:39][CH2:40][C:41]1=[O:42].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[cH:8][cH:9][c:10](=[O:20])[c:11]2-[c:12]1[c:13]([F:19])[cH:14][cH:15][cH:16][c:17]1[F:18].[Cs+:25].[Cs+:26].[F:27][c:28]1[c:29]([OH:35])[cH:30][cH:31][c:32]([F:34])[cH:33]1.[OH2:49]>>[c:2]1([O:35][c:29]2[c:28]([F:27])[cH:33][c:32]([F:34])[cH:31][cH:30]2)[cH:3][cH:4][c:5]2[n:6]([n:7]1)[cH:8][cH:9][c:10](=[O:20])[c:11]2-[c:12]1[c:13]([F:19])[cH:14][cH:15][cH:16][c:17]1[F:18]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 962WaterHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 1230512,4-DifluorophenolHCID 575312262-chloro-5-(2,6-difluorophenyl)-6H-pyrido[1,2-b]pyridazin-6-one

생성물

1
HCID 167499382-(2,4-difluorophenoxy)-5-(2,6-difluorophenyl)-6H-pyrido[1,2-b]pyridazin-6-one

출처 및 근거

ORD 기록
ord-8ef6c112111544cc9f56b10d88524fe3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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