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Sodium Ion → [3-[(tert-Butoxycarbonyl-methyl-amino)-methyl]-4-(propane-2-sulfonyl)-phenyl]-carbamic acid 2-(4-bromo-2-ethyl-phenyl)-ethyl ester

HRID 826583
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반응식

HRID 826583 반응식
[Br:35][c:36]1[cH:37][c:38]([CH2:45][CH3:46])[c:39]([CH2:42][CH2:43][OH:44])[cH:40][cH:41]1.[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[H-:2].[Na+:1].[c:3]1([O:9][C:10]([NH:11][c:12]2[cH:13][c:14]([CH2:24][N:25]([CH3:26])[C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[c:15]([S:18](=[O:19])(=[O:20])[CH:21]([CH3:22])[CH3:23])[cH:16][cH:17]2)=[O:34])[cH:4][cH:5][cH:6][cH:7][cH:8]1>>[O:9]([C:10]([NH:11][c:12]1[cH:13][c:14]([CH2:24][N:25]([CH3:26])[C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[c:15]([S:18](=[O:19])(=[O:20])[CH:21]([CH3:22])[CH3:23])[cH:16][cH:17]1)=[O:34])[CH2:43][CH2:42][c:39]1[c:38]([CH2:45][CH3:46])[cH:37][c:36]([Br:35])[cH:41][cH:40]1
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 5

HCID 923Sodium IonHCID 8028TetrahydrofuranHCID 166653HydrideHCID 578427842-(4-Bromo-2-ethylphenyl)ethanolHCID 57842905[3-[(tert-Butoxycarbonyl-methyl-amino)-methyl]-4-(propane-2-sulfonyl)-phenyl]-carbamic acid phenyl ester

생성물 1

HCID 57842899
[3-[(tert-Butoxycarbonyl-methyl-amino)-methyl]-4-(propane-2-sulfonyl)-phenyl]-carbamic acid 2-(4-bromo-2-ethyl-phenyl)-ethyl ester

출처 및 근거

ORD 기록
ord-cc97cc5ce82b46c0a4c4a994204f1855
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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