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Ammonium → Methyl 4-[3-[(4-methoxycarbonylphenyl)methyl]-5-[2-[5-(3-methyl-2-oxo-1,3-diazinan-1-yl)pentoxy]phenyl]pent-4-enyl]benzoate

HRID 166484
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HRID 166484 반응식
[CH3:1][N:2]1[C:3](=[O:8])[NH:4][CH2:5][CH2:6][CH2:7]1.[Cl-:52].[Cl:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][O:17][c:18]1[c:19]([CH:24]=[CH:25][CH:26]([CH2:27][CH2:28][c:29]2[cH:30][cH:31][c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38]2)[CH2:39][c:40]2[cH:41][cH:42][c:43]([C:46](=[O:47])[O:48][CH3:49])[cH:44][cH:45]2)[cH:20][cH:21][cH:22][cH:23]1.[H-:9].[I-:51].[K+:50].[NH4+:53].[Na+:10].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[CH3:1][N:2]1[C:3](=[O:8])[N:4]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][O:17][c:18]2[c:19]([CH:24]=[CH:25][CH:26]([CH2:27][CH2:28][c:29]3[cH:30][cH:31][c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38]3)[CH2:39][c:40]3[cH:41][cH:42][c:43]([C:46](=[O:47])[O:48][CH3:49])[cH:44][cH:45]3)[cH:20][cH:21][cH:22][cH:23]2)[CH2:5][CH2:6][CH2:7]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 223AmmoniumHCID 312ChlorideHCID 813Potassium CationHCID 923Sodium IonHCID 6228DimethylformamideHCID 30165Iodide IonHCID 166653HydrideHCID 128677481-Methyltetrahydropyrimidin-2(1H)-one
HCID 68483332
Methyl 4-[5-[2-(5-chloropentoxy)phenyl]-3-[(4-methoxycarbonylphenyl)methyl]pent-4-enyl]benzoate

생성물 1

HCID 68477834Methyl 4-[3-[(4-methoxycarbonylphenyl)methyl]-5-[2-[5-(3-methyl-2-oxo-1,3-diazinan-1-yl)pentoxy]phenyl]pent-4-enyl]benzoate

출처 및 근거

ORD 기록
ord-9c041baf941a4f4ca0614d1f4ac6b821
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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