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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Dimethylformamide → 3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-({[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxy}methyl)isoxazole

HRID 693727
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HRID 693727 반응식
[C:1](=[O:2])([O-:3])[O-:4].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH3:7][C:8]1([CH3:22])[O:9][B:10]([c:15]2[cH:16][cH:17][c:18]([OH:21])[cH:19][cH:20]2)[O:11][C:12]1([CH3:13])[CH3:14].[Cl:23][CH2:24][c:25]1[c:26](-[c:33]2[c:34]([Cl:40])[cH:35][cH:36][cH:37][c:38]2[Cl:39])[n:27][o:28][c:29]1[CH:30]([CH3:31])[CH3:32].[Cs+:5].[Cs+:6]>>[CH3:7][C:8]1([CH3:22])[O:9][B:10]([c:15]2[cH:16][cH:17][c:18]([O:21][CH2:24][c:25]3[c:26](-[c:33]4[c:34]([Cl:40])[cH:35][cH:36][cH:37][c:38]4[Cl:39])[n:27][o:28][c:29]3[CH:30]([CH3:31])[CH3:32])[cH:19][cH:20]2)[O:11][C:12]1([CH3:13])[CH3:14]
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6

반응물 5

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 27346244-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenolHCID 592648754-(Chloromethyl)-3-(2,6-dichlorophenyl)-5-isopropylisoxazole

생성물 1

HCID 59709039
3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-({[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxy}methyl)isoxazole

출처 및 근거

ORD 기록
ord-9283597904b048a39b9ac8c1b47a34cc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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