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Potassium Cation → N-(2-Difluoromethoxyphenyl-sulfonyl)-N'-[4-methoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-urea

HRID 2125872
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HRID 2125872 반응식
[C:39](=[O:40])([O-:41])[O-:42].[F:1][CH:2]([O:3][c:4]1[c:5]([S:10](=[O:11])(=[O:12])[NH:13][C:14](=[O:15])[NH:16][c:17]2[n:18][c:19]([O:24][CH3:25])[n:20][c:21]([Cl:23])[n:22]2)[cH:6][cH:7][cH:8][cH:9]1)[F:26].[K+:43].[K+:44].[O:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1.[OH2:45].[OH:33][CH2:34][C:35]([F:36])([F:37])[F:38]>>[F:1][CH:2]([O:3][c:4]1[c:5]([S:10](=[O:11])(=[O:12])[NH:13][C:14](=[O:15])[NH:16][c:17]2[n:18][c:19]([O:24][CH3:25])[n:20][c:21]([O:33][CH2:34][C:35]([F:36])([F:37])[F:38])[n:22]2)[cH:6][cH:7][cH:8][cH:9]1)[F:26]
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HCID 813Potassium Cation2회HCID 962WaterHCID 64092,2,2-TrifluoroethanolHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 13729470N-(2-difluoromethoxyphenylsulfonyl)-N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-urea

생성물 1

HCID 54181389
N-(2-Difluoromethoxyphenyl-sulfonyl)-N'-[4-methoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-urea

출처 및 근거

ORD 기록
ord-c456afc8f937430894b968fdfcde1099
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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