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Water → 5-(4-methoxyphenyl)-2,2-dimethyl-4-(4-((5-methylpyridin-2-yl)methoxy)phenyl)furan-3(2H)-one

HRID 1121486
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HRID 1121486 반응식
[C:24](=[O:25])([O-:26])[O-:27].[Cl:35][CH2:36][c:37]1[n:38][cH:39][c:40]([CH3:43])[cH:41][cH:42]1.[Cs+:28].[Cs+:29].[O:30]=[CH:31][N:32]([CH3:33])[CH3:34].[OH2:44].[OH:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[C:12]([c:13]3[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]3)[O:11][C:10]([CH3:21])([CH3:22])[C:9]2=[O:23])[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([C:8]2=[C:12]([c:13]3[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]3)[O:11][C:10]([CH3:21])([CH3:22])[C:9]2=[O:23])[cH:6][cH:7]1)[CH2:36][c:37]1[n:38][cH:39][c:40]([CH3:43])[cH:41][cH:42]1
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반응물 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 5880562-(Chloromethyl)-5-methylpyridineHCID 595801634-(4-hydroxyphenyl)-5-(4-methoxyphenyl)-2,2-dimethylfuran-3(2H)-one

생성물 1

HCID 59580112
5-(4-methoxyphenyl)-2,2-dimethyl-4-(4-((5-methylpyridin-2-yl)methoxy)phenyl)furan-3(2H)-one

출처 및 근거

ORD 기록
ord-67e0f0235d414a75b743ffbd2ad7a353
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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