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Sodium Ion → 3-[(3-{4-[5-Acetyl-1-(3-fluoropropyl)-1H-pyrrol-3-yl]-2-amino-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl}phenoxy)methyl]benzamide

HRID 1567133
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HRID 1567133 반응식
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]([C:13]2([c:21]3[cH:22][c:23]([OH:27])[cH:24][cH:25][cH:26]3)[C:14](=[O:20])[N:15]([CH3:19])[C:16]([NH2:18])=[N:17]2)[cH:7][n:8]1[CH2:9][CH2:10][CH2:11][F:12].[C:41](=[O:42])([O-:43])[O-:44].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cl:28][CH2:29][c:30]1[cH:31][c:32]([C:33](=[O:34])[NH2:35])[cH:36][cH:37][cH:38]1.[Cs+:45].[Cs+:46].[I-:40].[Na+:39]>>[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]([C:13]2([c:21]3[cH:22][c:23]([O:27][CH2:29][c:30]4[cH:31][c:32]([C:33](=[O:34])[NH2:35])[cH:36][cH:37][cH:38]4)[cH:24][cH:25][cH:26]3)[C:14](=[O:20])[N:15]([CH3:19])[C:16]([NH2:18])=[N:17]2)[cH:7][n:8]1[CH2:9][CH2:10][CH2:11][F:12]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 923Sodium IonHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 30165Iodide IonHCID 104967Cesium cation2회HCID 7371453-Chloromethyl-benzamide
HCID 59772654
5-[5-acetyl-1-(3-fluoropropyl)-1H-pyrrol-3-yl]-2-amino-5-(3-hydroxyphenyl)-3-methyl-3,5-dihydro-4H-imidazol-4-one

생성물 1

HCID 597727593-[(3-{4-[5-Acetyl-1-(3-fluoropropyl)-1H-pyrrol-3-yl]-2-amino-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl}phenoxy)methyl]benzamide

출처 및 근거

ORD 기록
ord-2336092ba9b34cddac271f3f12cd0985
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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