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Sodium Ion → 3-(3-Isobutyl-2-oxo-4-{[4-(3-o-tolyl-ureido)-phenyl]-acetyl}-piperazin-1-yl)-butyric acid

HRID 2163065
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인쇄 미리보기

반응식

HRID 2163065 반응식
[CH3:1][O:2][C:3]([CH2:4][CH:5]([CH3:6])[N:7]1[C:8](=[O:37])[CH:9]([CH2:33][CH:34]([CH3:35])[CH3:36])[N:10]([C:13]([CH2:14][c:15]2[cH:16][cH:17][c:18]([NH:21][C:22](=[O:23])[NH:24][c:25]3[c:26]([CH3:31])[cH:27][cH:28][cH:29][cH:30]3)[cH:19][cH:20]2)=[O:32])[CH2:11][CH2:12]1)=[O:38].[CH3:41][C:42]([OH:43])([CH3:44])[CH3:45].[Na+:40].[OH-:39]>>[O:2]=[C:3]([CH2:4][CH:5]([CH3:6])[N:7]1[C:8](=[O:37])[CH:9]([CH2:33][CH:34]([CH3:35])[CH3:36])[N:10]([C:13]([CH2:14][c:15]2[cH:16][cH:17][c:18]([NH:21][C:22](=[O:23])[NH:24][c:25]3[c:26]([CH3:31])[cH:27][cH:28][cH:29][cH:30]3)[cH:19][cH:20]2)=[O:32])[CH2:11][CH2:12]1)[OH:38]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 923Sodium IonHCID 961HydroxideHCID 6386tert-ButanolHCID 18682370HCID 18682370, 화합물

생성물 1

HCID 183138573-(3-Isobutyl-2-oxo-4-{[4-(3-o-tolyl-ureido)-phenyl]-acetyl}-piperazin-1-yl)-butyric acid

출처 및 근거

ORD 기록
ord-c6e24b55c31046f9ba59e4d9ff34d420
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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