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Magnesium Cation → 2-Acetoxy-4-[4-(2-benzyl-4,5-dimethyl-thiophene-3-carbonyl)-2-cyclopentyl-phenoxysulfonyl]-benzoic Acid

HRID 321101
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HRID 321101 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[s:9][c:10]([CH3:41])[c:11]([CH3:40])[c:12]1[C:13](=[O:14])[c:15]1[cH:16][c:17]([CH:35]2[CH2:36][CH2:37][CH2:38][CH2:39]2)[c:18]([O:19][S:20](=[O:21])(=[O:22])[c:23]2[cH:24][c:25]([OH:32])[c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]2)[cH:33][cH:34]1.[CH3:45][C:46](=[O:47])[O:48][C:49](=[O:50])[CH3:51].[I-:42].[I-:44].[Mg+2:43]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[s:9][c:10]([CH3:41])[c:11]([CH3:40])[c:12]1[C:13](=[O:14])[c:15]1[cH:16][c:17]([CH:35]2[CH2:36][CH2:37][CH2:38][CH2:39]2)[c:18]([O:19][S:20](=[O:21])(=[O:22])[c:23]2[cH:24][c:25]([O:32][C:46]([CH3:45])=[O:47])[c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]2)[cH:33][cH:34]1
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참가 물질

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반응물 4

HCID 888Magnesium CationHCID 7918Acetic AnhydrideHCID 30165Iodide Ion2회HCID 101212614-[4-(2-Benzyl-4,5-dimethyl-thiophene-3-carbonyl)-2-cyclopentyl-phenoxysulfonyl]-2-hydroxy-benzoic Acid

생성물 1

HCID 102828142-Acetoxy-4-[4-(2-benzyl-4,5-dimethyl-thiophene-3-carbonyl)-2-cyclopentyl-phenoxysulfonyl]-benzoic Acid

출처 및 근거

ORD 기록
ord-e955c198e2cd44cdadaaf6baa6306c60
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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