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Sodium Ion → (1-(5-(ethoxycarbonyl)fur-2-ylmethyl)-1H-benzimidazol-2-yl)(1-ethoxycarbonylpiperidin-4-yl)amine

HRID 319177
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반응식

HRID 319177 반응식
[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH3:46][CH2:47][O:48][CH2:49][CH3:50].[Cl:28][CH2:29][c:30]1[cH:31][cH:32][c:33]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[o:34]1.[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27].[OH2:40].[nH:1]1[c:2]([NH:10][CH:11]2[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[CH2:15][CH2:16]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[n:1]1([CH2:29][c:30]2[cH:31][cH:32][c:33]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[o:34]2)[c:2]([NH:10][CH:11]2[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[CH2:15][CH2:16]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium Ion2회HCID 962WaterHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 263166Ethyl 5-(chloromethyl)-2-furancarboxylateHCID 30184551-Piperidinecarboxylic acid, 4-(1H-benzimidazol-2-ylamino)-, ethyl ester

생성물 1

HCID 22009363(1-(5-(ethoxycarbonyl)fur-2-ylmethyl)-1H-benzimidazol-2-yl)(1-ethoxycarbonylpiperidin-4-yl)amine

출처 및 근거

ORD 기록
ord-87cd5715d33c43bf90603ce8f8c04798
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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