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Potassium Cation → 7-Oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluoro-2-nitro-phenyl)-ethyl]-methyl-amide

HRID 2317654
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HRID 2317654 반응식
[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][N:10]([S:11](=[O:12])(=[O:13])[c:14]2[c:15]3[c:16]([s:17][cH:18]2)[C:19](=[O:23])[CH2:20][CH2:21][CH2:22]3)[CH3:24])[cH:6][cH:7]1.[K+:25].[O-:26][N+:27]([O-:28])=[O:29].[OH2:30].[S:31](=[O:32])(=[O:33])([OH:34])[OH:35]>>[F:1][c:2]1[cH:3][c:4]([N+:27](=[O:26])[O-:28])[c:5]([CH2:8][CH2:9][N:10]([S:11](=[O:12])(=[O:13])[c:14]2[c:15]3[c:16]([s:17][cH:18]2)[C:19](=[O:23])[CH2:20][CH2:21][CH2:22]3)[CH3:24])[cH:6][cH:7]1
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HCID 813Potassium CationHCID 943NitrateHCID 962WaterHCID 1118Sulfuric AcidHCID 866009897-Oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-ethyl]-methyl-amide

생성물 1

HCID 210986797-Oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluoro-2-nitro-phenyl)-ethyl]-methyl-amide

출처 및 근거

ORD 기록
ord-65a4c6cbba014092ab8edd27a587df1e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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