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Sodium Ion → Phenylacetyloxymethyl 5-(N-acetylamino)-3-(N-acetyl-N-methylamino)-2,4,6-triiodobenzenecarboxylate

HRID 2341549
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HRID 2341549 반응식
[C:13]([CH3:14])(=[O:15])[NH:16][c:17]1[c:18]([I:33])[c:19]([N:28]([CH3:29])[C:30]([CH3:31])=[O:32])[c:20]([I:27])[c:21]([C:24](=[O:25])[O-:26])[c:22]1[I:23].[Cs+:34].[I-:36].[Na+:35].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[c:1]1([CH2:7][C:8](=[O:9])[O:10][CH2:11][Cl:12])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][C:8](=[O:9])[O:10][CH2:11][O:26][C:24]([c:21]2[c:20]([I:27])[c:19]([N:28]([CH3:29])[C:30]([CH3:31])=[O:32])[c:18]([I:33])[c:17]([NH:16][C:13]([CH3:14])=[O:15])[c:22]2[I:23])=[O:25])[cH:2][cH:3][cH:4][cH:5][cH:6]1
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HCID 923Sodium IonHCID 6228DimethylformamideHCID 30165Iodide IonHCID 104967Cesium cationHCID 11286872Chloromethyl phenylacetateHCID 189531793-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoate

생성물 1

HCID 18961584
Phenylacetyloxymethyl 5-(N-acetylamino)-3-(N-acetyl-N-methylamino)-2,4,6-triiodobenzenecarboxylate

출처 및 근거

ORD 기록
ord-eee96fd9b17c444c93bbdca5735cc58c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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