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Potassium Cation → Methyl 3-[3'-(3-heptyl-1-methylureido)-2-(3-methylbutoxy)biphenyl-4-yl]propanoate

HRID 289295
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HRID 289295 반응식
[Br:32][CH2:33][CH2:34][CH:35]([CH3:36])[CH3:37].[C:38](=[O:39])([O-:40])[O-:41].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[NH:8][C:9]([N:10]([CH3:11])[c:12]1[cH:13][c:14](-[c:18]2[c:19]([OH:30])[cH:20][c:21]([CH2:24][CH2:25][C:26](=[O:27])[O:28][CH3:29])[cH:22][cH:23]2)[cH:15][cH:16][cH:17]1)=[O:31].[CH2:46]([C:47]([CH3:48])=[O:49])[CH3:50].[I-:45].[K+:42].[K+:43].[Na+:44]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[NH:8][C:9]([N:10]([CH3:11])[c:12]1[cH:13][c:14](-[c:18]2[c:19]([O:30][CH2:33][CH2:34][CH:35]([CH3:36])[CH3:37])[cH:20][c:21]([CH2:24][CH2:25][C:26](=[O:27])[O:28][CH3:29])[cH:22][cH:23]2)[cH:15][cH:16][cH:17]1)=[O:31]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 923Sodium IonHCID 6569Methyl Ethyl KetoneHCID 78911-Bromo-3-methylbutaneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 11582687Methyl 3-[3'-(3-heptyl-1-methylureido)-2-hydroxybiphenyl-4-yl]propanoate

생성물

1
HCID 67271485Methyl 3-[3'-(3-heptyl-1-methylureido)-2-(3-methylbutoxy)biphenyl-4-yl]propanoate

출처 및 근거

ORD 기록
ord-daf83e8d9bdd4023a47199796f5b0af6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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