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Potassium Cation → 4-{4-[5-amino-1-(2,6-difluoro-benzoyl)-1H-[1,2,4]triazol-3-ylamino]-benzenesulfonylamino}-4-oxo-butyric acid ethyl ester

HRID 112579
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인쇄 미리보기

반응식

HRID 112579 반응식
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:28][C:29]([CH3:30])([O-:31])[CH3:32].[Cl:34][C:35]([CH2:36][CH2:37][C:38](=[O:39])[O:40][CH2:41][CH3:42])=[O:43].[K+:33].[NH2:1][c:2]1[n:3][c:4]([NH:17][c:18]2[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[NH2:27])[cH:22][cH:23]2)[n:5][n:6]1[C:7]([c:8]1[c:9]([F:15])[cH:10][cH:11][cH:12][c:13]1[F:14])=[O:16]>>[NH2:1][c:2]1[n:3][c:4]([NH:17][c:18]2[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[NH:27][C:35]([CH2:36][CH2:37][C:38](=[O:39])[O:40][CH2:41][CH3:42])=[O:43])[cH:22][cH:23]2)[n:5][n:6]1[C:7]([c:8]1[c:9]([F:15])[cH:10][cH:11][cH:12][c:13]1[F:14])=[O:16]
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참가 물질

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반응물 5

HCID 813Potassium CationHCID 8028TetrahydrofuranHCID 84648Butanoic acid, 4-chloro-4-oxo-, ethyl esterHCID 45749132-Methylpropan-2-olateHCID 5330790Jnj-7706621

생성물 1

HCID 115699374-{4-[5-amino-1-(2,6-difluoro-benzoyl)-1H-[1,2,4]triazol-3-ylamino]-benzenesulfonylamino}-4-oxo-butyric acid ethyl ester

출처 및 근거

ORD 기록
ord-979f5e6aa948403c91f628836da218dd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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