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Sodium Ion → 1-[2-(1-Adamantyl)ethyl]-1-[2-(N-ethylamino)ethyl]-3-[3-(4-pyridyl)propyl]urea

HRID 166098
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반응식

HRID 166098 반응식
[Al+3:2].[C:7]([CH3:8])(=[O:9])[NH:10][CH2:11][CH2:12][N:13]([C:14](=[O:15])[NH:16][CH2:17][CH2:18][CH2:19][c:20]1[cH:21][cH:22][n:23][cH:24][cH:25]1)[CH2:26][CH2:27][C:28]12[CH2:29][CH:30]3[CH2:31][CH:32]([CH2:33][CH:34]([CH2:35]1)[CH2:36]3)[CH2:37]2.[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH3:46][CH2:47][O:48][CH2:49][CH3:50].[H-:1].[H-:4].[H-:5].[H-:6].[Li+:3].[Na+:45].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH-:44]>>[CH2:7]([CH3:8])[NH:10][CH2:11][CH2:12][N:13]([C:14](=[O:15])[NH:16][CH2:17][CH2:18][CH2:19][c:20]1[cH:21][cH:22][n:23][cH:24][cH:25]1)[CH2:26][CH2:27][C:28]12[CH2:29][CH:30]3[CH2:31][CH:32]([CH2:33][CH:34]([CH2:35]1)[CH2:36]3)[CH2:37]2
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 923Sodium IonHCID 961HydroxideHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4회
HCID 21974120
1-[2-(Acetylamino)ethyl]-1-[2-(1-adamantyl)ethyl]-3-[3-(4-pyridyl)propyl]urea

생성물 1

HCID 219741171-[2-(1-Adamantyl)ethyl]-1-[2-(N-ethylamino)ethyl]-3-[3-(4-pyridyl)propyl]urea

출처 및 근거

ORD 기록
ord-13861a31e0394d8fa6273af08dcca8b3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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